3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide

C17H19ClN2O4S — CID 78857000

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12(11-21)19-17(22)13-5-3-8-16(9-13)25(23,24)20(2)15-7-4-6-14(18)10-15/h3-10,12,21H,11H2,1-2H3,(H,19,22)
InChIKeyKFFDORMZBYILJY-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.28
Rot. Bonds6

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 78857000) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID78857000
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12(11-21)19-17(22)13-5-3-8-16(9-13)25(23,24)20(2)15-7-4-6-14(18)10-15/h3-10,12,21H,11H2,1-2H3,(H,19,22)
InChIKeyKFFDORMZBYILJY-UHFFFAOYSA-N
XLogP2.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
CID 55343956
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide (CID 78857000) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is KFFDORMZBYILJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12(11-21)19-17(22)13-5-3-8-16(9-13)25(23,24)20(2)15-7-4-6-14(18)10-15/h3-10,12,21H,11H2,1-2H3,(H,19,22).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 382.87 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 78857000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).