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[N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamido]acetic acid

[N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamido]acetic acid

CAS: 333452-78-1

Formula: C16H16ClNO4S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(O)=O)C1=C(C)C=CC(Cl)=C1

IUPAC: 2-[N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamido]acetic acid

InChI: InChI=1S/C16H16ClNO4S/c1-11-3-7-14(8-4-11)23(21,22)18(10-16(19)20)15-9-13(17)6-5-12(15)2/h3-9H,10H2,1-2H3,(H,19,20)

Composition: C (54.32%), H (4.56%), Cl (10.02%), N (3.96%), O (18.09%), S (9.06%)

Molar Mass: 353.82

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 353.0488569
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YQYQHBSUZWKYDX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.76
Topological Polar Surface Area 74.68
Polarizability 34.81
Ring Count 2
Rotatable Bond Count 4

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97% <7 Days 333452-78-1 $296.40-$779.79$296.40$779.79
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