5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

C15H22FNO3S — CID 102919775

IUPAC5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2cc(F)ccc2CO)C1
InChIInChI=1S/C15H22FNO3S/c1-11-4-3-5-14(8-11)17(2)21(19,20)15-9-13(16)7-6-12(15)10-18/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyHYJJNPLIYXZXSH-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.52
Rot. Bonds4

About 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 102919775) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID102919775
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2cc(F)ccc2CO)C1
InChIInChI=1S/C15H22FNO3S/c1-11-4-3-5-14(8-11)17(2)21(19,20)15-9-13(16)7-6-12(15)10-18/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyHYJJNPLIYXZXSH-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 102919764
5-fluoro-2-(hydroxymethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 102919903
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919803
3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 63289031
5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
CID 102919677
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461
2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 102920256

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (CID 102919775) is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(N(C)S(=O)(=O)c2cc(F)ccc2CO)C1.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is HYJJNPLIYXZXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-11-4-3-5-14(8-11)17(2)21(19,20)15-9-13(16)7-6-12(15)10-18/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 102919775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).