3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

C17H20N2O3S — CID 26499000

IUPAC3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12(2)18-17(20)14-5-4-6-16(11-14)23(21,22)19-15-9-7-13(3)8-10-15/h4-12,19H,1-3H3,(H,18,20)
InChIKeyWXJUSGHBBKRCCO-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.93
Rot. Bonds5

About 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 26499000) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID26499000
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12(2)18-17(20)14-5-4-6-16(11-14)23(21,22)19-15-9-7-13(3)8-10-15/h4-12,19H,1-3H3,(H,18,20)
InChIKeyWXJUSGHBBKRCCO-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 26499000) is 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is WXJUSGHBBKRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(2)18-17(20)14-5-4-6-16(11-14)23(21,22)19-15-9-7-13(3)8-10-15/h4-12,19H,1-3H3,(H,18,20).
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 26499000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).