5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide

C14H20FNO3S — CID 64913291

IUPAC5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C14H20FNO3S/c1-10-6-7-12(15)8-14(10)20(18,19)16-9-11-4-2-3-5-13(11)17/h6-8,11,13,16-17H,2-5,9H2,1H3
InChIKeyKRCPFLSLOWBJNR-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.96
Rot. Bonds4

About 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide

5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 64913291) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
PubChem CID64913291
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C14H20FNO3S/c1-10-6-7-12(15)8-14(10)20(18,19)16-9-11-4-2-3-5-13(11)17/h6-8,11,13,16-17H,2-5,9H2,1H3
InChIKeyKRCPFLSLOWBJNR-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244846
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 63420657
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
N-(2-bromo-2-cyclopropylethyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113271162
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 97244870

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide (CID 64913291) is 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is KRCPFLSLOWBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-6-7-12(15)8-14(10)20(18,19)16-9-11-4-2-3-5-13(11)17/h6-8,11,13,16-17H,2-5,9H2,1H3.
What are the key properties of 5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 1.96, 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-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 64913291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).