N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

C18H21ClN2O3S — CID 99950233

IUPACN-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-4-11-20-18(22)14-7-10-17(16(19)12-14)21-25(23,24)15-8-5-13(2)6-9-15/h5-10,12,21H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyFXXFSANMXZQLBP-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.98
Rot. Bonds7

About N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 99950233) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID99950233
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-4-11-20-18(22)14-7-10-17(16(19)12-14)21-25(23,24)15-8-5-13(2)6-9-15/h5-10,12,21H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyFXXFSANMXZQLBP-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108
3-chloro-N-[3-(3-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909714
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
3-chloro-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43908652
N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 109058641
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
3-chloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681539

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 99950233) is N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is FXXFSANMXZQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-4-11-20-18(22)14-7-10-17(16(19)12-14)21-25(23,24)15-8-5-13(2)6-9-15/h5-10,12,21H,3-4,11H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 99950233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).