N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide

C20H16ClNO3S — CID 56655954

IUPACN-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)20(23)22-26(24,25)19-12-10-18(21)11-13-19/h2-13H,1H3,(H,22,23)
InChIKeyBDVDSHHPAVVBTR-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.43
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide

N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide (PubChem CID 56655954) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
PubChem CID56655954
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)20(23)22-26(24,25)19-12-10-18(21)11-13-19/h2-13H,1H3,(H,22,23)
InChIKeyBDVDSHHPAVVBTR-UHFFFAOYSA-N
XLogP4.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-[(4-chlorophenyl)sulfonylcarbamoyl]benzenesulfinate
CID 23213583
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide (CID 56655954) is N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide is Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide?
The InChIKey is BDVDSHHPAVVBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)20(23)22-26(24,25)19-12-10-18(21)11-13-19/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide?
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide has a molecular weight of 385.87 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 56655954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).