N-(2H-1,3-benzodioxol-5-yl)-2-[N-(5-chloro-2-methoxyphenyl)benzenesulfonamido]acetamide

N-(2H-1,3-benzodioxol-5-yl)-2-[N-(5-chloro-2-methoxyphenyl)benzenesulfonamido]acetamide

CAS: 333745-53-2

Formula: C22H19ClN2O6S

SMILES: COC1=CC=C(Cl)C=C1N(CC(=O)NC1=CC=C2OCOC2=C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(5-chloro-2-methoxyphenyl)benzenesulfonamido]acetamide

InChI: InChI=1S/C22H19ClN2O6S/c1-29-19-9-7-15(23)11-18(19)25(32(27,28)17-5-3-2-4-6-17)13-22(26)24-16-8-10-20-21(12-16)31-14-30-20/h2-12H,13-14H2,1H3,(H,24,26)

Composition: C (55.64%), H (4.03%), Cl (7.46%), N (5.90%), O (20.21%), S (6.75%)

Molar Mass: 474.91

Atom Count: 51

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	474.0652352
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZGYSGIYKAVUVOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.18
Topological Polar Surface Area	94.17
Polarizability	46.59
Ring Count	4
Rotatable Bond Count	6

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