5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide

C15H16FNO3S — CID 3856276

IUPAC5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c(CO)c1
InChIInChI=1S/C15H16FNO3S/c1-10-3-6-14(12(7-10)9-18)17-21(19,20)15-8-13(16)5-4-11(15)2/h3-8,17-18H,9H2,1-2H3
InChIKeyYKFHZILBTLZHOD-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.74
Rot. Bonds4

About 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide

5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide (PubChem CID 3856276) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
PubChem CID3856276
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c(CO)c1
InChIInChI=1S/C15H16FNO3S/c1-10-3-6-14(12(7-10)9-18)17-21(19,20)15-8-13(16)5-4-11(15)2/h3-8,17-18H,9H2,1-2H3
InChIKeyYKFHZILBTLZHOD-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 74225912
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936
5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide (CID 3856276) is 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c(CO)c1.
What is the InChIKey of 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide?
The InChIKey is YKFHZILBTLZHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-3-6-14(12(7-10)9-18)17-21(19,20)15-8-13(16)5-4-11(15)2/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 3856276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).