N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide

C19H23NO3S — CID 39769711

IUPACN-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-14(2)7-8-16-9-11-19(12-10-16)24(22,23)20-18-6-4-5-17(13-18)15(3)21/h4-6,9-14,20H,7-8H2,1-3H3
InChIKeyHXZQTECUEVJWIH-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.28
Rot. Bonds7

About N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide

N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide (PubChem CID 39769711) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
PubChem CID39769711
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-14(2)7-8-16-9-11-19(12-10-16)24(22,23)20-18-6-4-5-17(13-18)15(3)21/h4-6,9-14,20H,7-8H2,1-3H3
InChIKeyHXZQTECUEVJWIH-UHFFFAOYSA-N
XLogP4.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 35933784
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 39329690
(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide
CID 20792319
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 55676349
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 35545776

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide (CID 39769711) is N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
The InChIKey is HXZQTECUEVJWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)7-8-16-9-11-19(12-10-16)24(22,23)20-18-6-4-5-17(13-18)15(3)21/h4-6,9-14,20H,7-8H2,1-3H3.
What are the key properties of N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide?
N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 39769711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).