3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide

C14H20FNO3S — CID 62525829

IUPAC3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNO3S/c1-11-5-7-14(10-17,8-6-11)16-20(18,19)13-4-2-3-12(15)9-13/h2-4,9,11,16-17H,5-8,10H2,1H3
InChIKeyNWQPJWMKMNNIPV-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.05
Rot. Bonds4

About 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide

3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide (PubChem CID 62525829) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
PubChem CID62525829
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNO3S/c1-11-5-7-14(10-17,8-6-11)16-20(18,19)13-4-2-3-12(15)9-13/h2-4,9,11,16-17H,5-8,10H2,1H3
InChIKeyNWQPJWMKMNNIPV-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 10084784
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 21078475
2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 21078640
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2-fluoro-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide
CID 21078668
4-fluoro-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide
CID 21078756
N-(1-cyclohexyl-3-hydroxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 21078764
4-fluoro-N-[5-(hydroxymethyl)nonan-5-yl]benzenesulfonamide
CID 53742728
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 53970966
4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 54371231
N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide
CID 67868222
4-fluoro-N-[(3S,4S)-5-hydroxy-3-methyldecan-4-yl]benzenesulfonamide
CID 68539414

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide (CID 62525829) is 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide is CC1CCC(CO)(NS(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide?
The InChIKey is NWQPJWMKMNNIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-5-7-14(10-17,8-6-11)16-20(18,19)13-4-2-3-12(15)9-13/h2-4,9,11,16-17H,5-8,10H2,1H3.
What are the key properties of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide?
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62525829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).