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N-benzyl-N-(4-{N'-[(E)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydrazinecarbonyl}phenyl)methanesulfonamide

N-benzyl-N-(4-{N'-[(E)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydrazinecarbonyl}phenyl)methanesulfonamide

Formula: C28H27BrN4O3S

SMILES: CC1=CC(C=NNC(=O)C2=CC=C(C=C2)N(CC2=CC=CC=C2)S(C)(=O)=O)=C(C)N1C1=CC=CC=C1Br

IUPAC: N-benzyl-N-(4-{N'-[(E)-[1-(2-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]hydrazinecarbonyl}phenyl)methanesulfonamide

InChI: InChI=1S/C28H27BrN4O3S/c1-20-17-24(21(2)33(20)27-12-8-7-11-26(27)29)18-30-31-28(34)23-13-15-25(16-14-23)32(37(3,35)36)19-22-9-5-4-6-10-22/h4-18H,19H2,1-3H3,(H,31,34)/b30-18+

Composition: C (58.03%), H (4.70%), Br (13.79%), N (9.67%), O (8.28%), S (5.53%)

Molar Mass: 579.51

Atom Count: 64

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 578.098725
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey USYBSNRSCXWAPR-UXHLAJHPSA-N
Lipinski's Rule of Five
Molar Refractivity 162.1
Topological Polar Surface Area 83.77
Polarizability 58.09
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H27BrN4O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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