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N-{4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide

N-{4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide

Formula: C16H15N3O5S3

SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=CC=C(C=C2S1)S(C)(=O)=O

IUPAC: N-{4-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl}acetamide

InChI: InChI=1S/C16H15N3O5S3/c1-10(20)17-11-3-5-12(6-4-11)27(23,24)19-16-18-14-8-7-13(26(2,21)22)9-15(14)25-16/h3-9H,1-2H3,(H,17,20)(H,18,19)

Composition: C (45.17%), H (3.55%), N (9.88%), O (18.80%), S (22.60%)

Molar Mass: 425.49

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 425.017384117
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey SFWKVFXDGCXQNF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.3
Topological Polar Surface Area 122.3
Polarizability 41.44
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15N3O5S3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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