3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide

C18H21ClN2O4S — CID 97012345

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
SMILESCC(C)[C@H](O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12(2)17(22)11-20-18(23)13-6-5-7-14(10-13)26(24,25)21-16-9-4-3-8-15(16)19/h3-10,12,17,21-22H,11H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyINKYLOFYLWEYLF-QGZVFWFLSA-N
MW396.90 g/mol
LogP2.89
Rot. Bonds7

About 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide (PubChem CID 97012345) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
PubChem CID97012345
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
SMILESCC(C)[C@H](O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12(2)17(22)11-20-18(23)13-6-5-7-14(10-13)26(24,25)21-16-9-4-3-8-15(16)19/h3-10,12,17,21-22H,11H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyINKYLOFYLWEYLF-QGZVFWFLSA-N
XLogP2.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 55655492
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-(2-methylpropyl)-3-[(2-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109062830
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691959
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9060965
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide (CID 97012345) is 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide is CC(C)[C@H](O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide?
The InChIKey is INKYLOFYLWEYLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12(2)17(22)11-20-18(23)13-6-5-7-14(10-13)26(24,25)21-16-9-4-3-8-15(16)19/h3-10,12,17,21-22H,11H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide has a molecular weight of 396.90 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide is sourced from PubChem (CID 97012345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).