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

C15H16FNO3S — CID 111444685

IUPAC4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H16FNO3S/c1-10-3-4-12(9-18)8-14(10)17-21(19,20)15-6-5-13(16)7-11(15)2/h3-8,17-18H,9H2,1-2H3
InChIKeyNSOKREDZFIGLIZ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.74
Rot. Bonds4

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

4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide (PubChem CID 111444685) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
PubChem CID111444685
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H16FNO3S/c1-10-3-4-12(9-18)8-14(10)17-21(19,20)15-6-5-13(16)7-11(15)2/h3-8,17-18H,9H2,1-2H3
InChIKeyNSOKREDZFIGLIZ-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

4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
CID 56794472
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
methyl 2-[[5-(hydroxymethyl)-2-methylphenyl]sulfamoyl]benzoate
CID 3685003
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 111444697
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide (CID 111444685) is 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide is Cc1ccc(CO)cc1NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide?
The InChIKey is NSOKREDZFIGLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-3-4-12(9-18)8-14(10)17-21(19,20)15-6-5-13(16)7-11(15)2/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[5-(hydroxymethyl)-2-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 4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 111444685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).