2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide

C15H22FNO3S — CID 62525307

IUPAC2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C15H22FNO3S/c1-11-5-7-15(10-18,8-6-11)17-21(19,20)14-9-12(2)3-4-13(14)16/h3-4,9,11,17-18H,5-8,10H2,1-2H3
InChIKeyDKBRXOXTBZZKEA-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.35
Rot. Bonds4

About 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide

2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide (PubChem CID 62525307) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide
PubChem CID62525307
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C15H22FNO3S/c1-11-5-7-15(10-18,8-6-11)17-21(19,20)14-9-12(2)3-4-13(14)16/h3-4,9,11,17-18H,5-8,10H2,1-2H3
InChIKeyDKBRXOXTBZZKEA-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 62525308
N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
CID 115902945
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
4-bromo-2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62526692
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 62526726
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide (CID 62525307) is 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NC2(CO)CCC(C)CC2)c1.
What is the InChIKey of 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide?
The InChIKey is DKBRXOXTBZZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-11-5-7-15(10-18,8-6-11)17-21(19,20)14-9-12(2)3-4-13(14)16/h3-4,9,11,17-18H,5-8,10H2,1-2H3.
What are the key properties of 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide?
2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 62525307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).