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

C21H19ClN2O3S2 — CID 30390821

IUPAC2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1
InChIInChI=1S/C21H19ClN2O3S2/c1-14-6-9-18(10-7-14)29(26,27)24-16-8-11-19(20(22)13-16)21(25)23-15-4-3-5-17(12-15)28-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyQUADVGBUSOUHID-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.42
Rot. Bonds6

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

2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 30390821) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
PubChem CID30390821
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC Name2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1
InChIInChI=1S/C21H19ClN2O3S2/c1-14-6-9-18(10-7-14)29(26,27)24-16-8-11-19(20(22)13-16)21(25)23-15-4-3-5-17(12-15)28-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyQUADVGBUSOUHID-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

2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92679696
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide (CID 30390821) is 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is QUADVGBUSOUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c1-14-6-9-18(10-7-14)29(26,27)24-16-8-11-19(20(22)13-16)21(25)23-15-4-3-5-17(12-15)28-2/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-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 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 30390821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).