3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide

C21H19ClN2O3S2 — CID 30377748

IUPAC3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C21H19ClN2O3S2/c1-14-7-10-16(11-8-14)29(26,27)24-18-12-9-15(13-17(18)22)21(25)23-19-5-3-4-6-20(19)28-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyGNKTXNSUMIZCFH-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.42
Rot. Bonds6

About 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide

3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 30377748) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
PubChem CID30377748
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC Name3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C21H19ClN2O3S2/c1-14-7-10-16(11-8-14)29(26,27)24-18-12-9-15(13-17(18)22)21(25)23-19-5-3-4-6-20(19)28-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyGNKTXNSUMIZCFH-UHFFFAOYSA-N
XLogP5.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 54471115
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28567614
3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46762958
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99954541
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 43916618
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide (CID 30377748) is 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is GNKTXNSUMIZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c1-14-7-10-16(11-8-14)29(26,27)24-18-12-9-15(13-17(18)22)21(25)23-19-5-3-4-6-20(19)28-2/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 446.98 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 30377748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).