N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide

C17H19ClN2O3S — CID 26637625

IUPACN-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11(2)20-24(22,23)14-7-5-13(6-8-14)17(21)19-16-9-4-12(3)10-15(16)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyHQFLGMACUYIXBP-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.59
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26637625) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID26637625
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11(2)20-24(22,23)14-7-5-13(6-8-14)17(21)19-16-9-4-12(3)10-15(16)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyHQFLGMACUYIXBP-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide
CID 51191587
N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18225328
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 16591110
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
N-(2-chloro-4-methylphenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926672

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 26637625) is N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is HQFLGMACUYIXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11(2)20-24(22,23)14-7-5-13(6-8-14)17(21)19-16-9-4-12(3)10-15(16)18/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26637625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).