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3'-(benzenesulfonyl)-1'-cyclohexyl-4',5'-dimethyl-1,2'-bipyrrole

3'-(benzenesulfonyl)-1'-cyclohexyl-4',5'-dimethyl-1,2'-bipyrrole

CAS: 860648-58-4

Formula: C22H26N2O2S

SMILES: CC1=C(C)C(=C(N2C=CC=C2)N1C1CCCCC1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 3'-(benzenesulfonyl)-1'-cyclohexyl-4',5'-dimethyl-1'H-1,2'-bipyrrole

InChI: InChI=1S/C22H26N2O2S/c1-17-18(2)24(19-11-5-3-6-12-19)22(23-15-9-10-16-23)21(17)27(25,26)20-13-7-4-8-14-20/h4,7-10,13-16,19H,3,5-6,11-12H2,1-2H3

Composition: C (69.08%), H (6.85%), N (7.32%), O (8.37%), S (8.38%)

Molar Mass: 382.52

Atom Count: 53

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 382.171499259
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KREKWFFYHMYCGD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 119.46
Topological Polar Surface Area 44
Polarizability 43.17
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860648-58-4 $51.35-$86.31$51.35$63.37$86.31
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