4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide

C20H17ClN2O3S2 — CID 41318735

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O3S2/c1-27-19-5-3-2-4-18(19)22-20(24)14-6-10-16(11-7-14)23-28(25,26)17-12-8-15(21)9-13-17/h2-13,23H,1H3,(H,22,24)
InChIKeyNHVYSMFBCDSZOC-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.11
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide

4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 41318735) has the molecular formula C20H17ClN2O3S2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
PubChem CID41318735
Molecular FormulaC20H17ClN2O3S2
Molecular Weight432.95 g/mol
Exact Mass432.04
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O3S2/c1-27-19-5-3-2-4-18(19)22-20(24)14-6-10-16(11-7-14)23-28(25,26)17-12-8-15(21)9-13-17/h2-13,23H,1H3,(H,22,24)
InChIKeyNHVYSMFBCDSZOC-UHFFFAOYSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 25348450
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 54471115
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893
4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
CID 46533931
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide (CID 41318735) is 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is NHVYSMFBCDSZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S2/c1-27-19-5-3-2-4-18(19)22-20(24)14-6-10-16(11-7-14)23-28(25,26)17-12-8-15(21)9-13-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 432.95 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 41318735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).