N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C17H20N2O4S — CID 78856434

IUPACN-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)CO)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-6-8-15(9-7-12)19-24(22,23)16-5-3-4-14(10-16)17(21)18-13(2)11-20/h3-10,13,19-20H,11H2,1-2H3,(H,18,21)
InChIKeyLZADVSCIDCREDM-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.91
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 78856434) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID78856434
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)CO)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-6-8-15(9-7-12)19-24(22,23)16-5-3-4-14(10-16)17(21)18-13(2)11-20/h3-10,13,19-20H,11H2,1-2H3,(H,18,21)
InChIKeyLZADVSCIDCREDM-UHFFFAOYSA-N
XLogP1.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698
N-butan-2-yl-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 109063056
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide
CID 109063102
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 78856434) is N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)CO)c2)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is LZADVSCIDCREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-6-8-15(9-7-12)19-24(22,23)16-5-3-4-14(10-16)17(21)18-13(2)11-20/h3-10,13,19-20H,11H2,1-2H3,(H,18,21).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 78856434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).