3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide

C19H23ClN2O3S — CID 43877132

IUPAC3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-5-14(3)21-19(23)15-8-11-18(17(20)12-15)22-26(24,25)16-9-6-13(2)7-10-16/h6-12,14,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyHFTKIRYTBHTMFH-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.37
Rot. Bonds7

About 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide

3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide (PubChem CID 43877132) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
PubChem CID43877132
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-5-14(3)21-19(23)15-8-11-18(17(20)12-15)22-26(24,25)16-9-6-13(2)7-10-16/h6-12,14,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyHFTKIRYTBHTMFH-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 43916618
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
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671799
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 38002730
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The IUPAC name of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide (CID 43877132) is 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The canonical SMILES for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The InChIKey is HFTKIRYTBHTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-5-14(3)21-19(23)15-8-11-18(17(20)12-15)22-26(24,25)16-9-6-13(2)7-10-16/h6-12,14,22H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide has a molecular weight of 394.92 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 43877132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).