4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

C16H17ClN2O3S — CID 4924513

IUPAC4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)19-23(21,22)15-9-7-14(8-10-15)18-16(20)12-3-5-13(17)6-4-12/h3-11,19H,1-2H3,(H,18,20)
InChIKeyCVHPBSWRJPYALS-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.28
Rot. Bonds5

About 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 4924513) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID4924513
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)19-23(21,22)15-9-7-14(8-10-15)18-16(20)12-3-5-13(17)6-4-12/h3-11,19H,1-2H3,(H,18,20)
InChIKeyCVHPBSWRJPYALS-UHFFFAOYSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
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-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
5-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9219442
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 4924513) is 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is CVHPBSWRJPYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11(2)19-23(21,22)15-9-7-14(8-10-15)18-16(20)12-3-5-13(17)6-4-12/h3-11,19H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 352.84 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4924513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).