3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide

C17H19ClN2O3S — CID 9411270

IUPAC3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-17(2,3)20-24(22,23)13-8-6-7-12(11-13)16(21)19-15-10-5-4-9-14(15)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyZOSVHRUWTGVTSH-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.67
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide

3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide (PubChem CID 9411270) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
PubChem CID9411270
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-17(2,3)20-24(22,23)13-8-6-7-12(11-13)16(21)19-15-10-5-4-9-14(15)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyZOSVHRUWTGVTSH-UHFFFAOYSA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 35028286
3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide
CID 167966426
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide (CID 9411270) is 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide is CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide?
The InChIKey is ZOSVHRUWTGVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-17(2,3)20-24(22,23)13-8-6-7-12(11-13)16(21)19-15-10-5-4-9-14(15)18/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide?
3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 9411270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).