4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide

C18H21ClN2O3S — CID 93487479

IUPAC4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-7-13(2)20-18(22)14-10-11-17(16(19)12-14)21-25(23,24)15-8-5-4-6-9-15/h4-6,8-13,21H,3,7H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyAAEXVUITIDESHR-ZDUSSCGKSA-N
MW380.90 g/mol
LogP4.06
Rot. Bonds7

About 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide

4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide (PubChem CID 93487479) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
PubChem CID93487479
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-7-13(2)20-18(22)14-10-11-17(16(19)12-14)21-25(23,24)15-8-5-4-6-9-15/h4-6,8-13,21H,3,7H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyAAEXVUITIDESHR-ZDUSSCGKSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 43916618
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94020081
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
CID 46763289
2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 42890307
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide (CID 93487479) is 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide is CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide?
The InChIKey is AAEXVUITIDESHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-7-13(2)20-18(22)14-10-11-17(16(19)12-14)21-25(23,24)15-8-5-4-6-9-15/h4-6,8-13,21H,3,7H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide?
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide has a molecular weight of 380.90 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide is sourced from PubChem (CID 93487479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).