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4-chloro-N-[4-(4-methylbenzenesulfonyl)phenyl]benzamide

4-chloro-N-[4-(4-methylbenzenesulfonyl)phenyl]benzamide

CAS: 339096-13-8

Formula: C20H16ClNO3S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: 4-chloro-N-[4-(4-methylbenzenesulfonyl)phenyl]benzamide

InChI: InChI=1S/C20H16ClNO3S/c1-14-2-10-18(11-3-14)26(24,25)19-12-8-17(9-13-19)22-20(23)15-4-6-16(21)7-5-15/h2-13H,1H3,(H,22,23)

Composition: C (62.26%), H (4.18%), Cl (9.19%), N (3.63%), O (12.44%), S (8.31%)

Molar Mass: 385.86

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 385.0539423
Formal Charge 0
FSP3 0.05
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FSDLBGHLOCUMTN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 104.97
Topological Polar Surface Area 63.24
Polarizability 40.62
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339096-13-8 $51.35-$86.31$51.35$63.37$86.31
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