N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide

C18H22FNO2S — CID 3800268

IUPACN-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C18H22FNO2S/c1-4-5-6-15-8-10-17(14(3)11-15)20-23(21,22)18-12-16(19)9-7-13(18)2/h7-12,20H,4-6H2,1-3H3
InChIKeyUDPPUEIGWHUKHL-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.59
Rot. Bonds6

About N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide

N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 3800268) has the molecular formula C18H22FNO2S and a molecular weight of 335.44 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID3800268
Molecular FormulaC18H22FNO2S
Molecular Weight335.44 g/mol
Exact Mass335.14
IUPAC NameN-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C18H22FNO2S/c1-4-5-6-15-8-10-17(14(3)11-15)20-23(21,22)18-12-16(19)9-7-13(18)2/h7-12,20H,4-6H2,1-3H3
InChIKeyUDPPUEIGWHUKHL-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 3800268) is N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UDPPUEIGWHUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2S/c1-4-5-6-15-8-10-17(14(3)11-15)20-23(21,22)18-12-16(19)9-7-13(18)2/h7-12,20H,4-6H2,1-3H3.
What are the key properties of N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 335.44 g/mol, XLogP of 4.59, 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)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 3800268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).