4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide

C18H21ClN2O3S — CID 99953455

IUPAC4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-18(22)14-8-9-17(16(19)12-14)21-25(23,24)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyYAEQKKZGOMOLET-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.92
Rot. Bonds7

About 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide

4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide (PubChem CID 99953455) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
PubChem CID99953455
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-18(22)14-8-9-17(16(19)12-14)21-25(23,24)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyYAEQKKZGOMOLET-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 92674197
4-(benzenesulfonamido)-3-chloro-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 46763529
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 43916618
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide (CID 99953455) is 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide?
The InChIKey is YAEQKKZGOMOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-18(22)14-8-9-17(16(19)12-14)21-25(23,24)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide?
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.92, 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-(3-methylbutyl)benzamide is sourced from PubChem (CID 99953455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).