N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide

C17H20FNO2S — CID 3597119

IUPACN-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FNO2S/c1-3-4-5-14-6-11-17(13(2)12-14)19-22(20,21)16-9-7-15(18)8-10-16/h6-12,19H,3-5H2,1-2H3
InChIKeyLOWPXFKOOLPGRD-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.28
Rot. Bonds6

About N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide

N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 3597119) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
PubChem CID3597119
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FNO2S/c1-3-4-5-14-6-11-17(13(2)12-14)19-22(20,21)16-9-7-15(18)8-10-16/h6-12,19H,3-5H2,1-2H3
InChIKeyLOWPXFKOOLPGRD-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 3800268
N-(4-butyl-2-methylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 3750075
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide
CID 4584867
N-(4-butyl-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370021
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 3875911
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 91650299

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide (CID 3597119) is N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is LOWPXFKOOLPGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-3-4-5-14-6-11-17(13(2)12-14)19-22(20,21)16-9-7-15(18)8-10-16/h6-12,19H,3-5H2,1-2H3.
What are the key properties of N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide?
N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).