4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide

C13H18FNO3S — CID 43164449

IUPAC4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CCCCC2)c(F)c1
InChIInChI=1S/C13H18FNO3S/c14-12-8-11(19(15,16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,15,16,17)
InChIKeyFTAJARADKRQNOB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds4

About 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide

4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide (PubChem CID 43164449) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
PubChem CID43164449
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CCCCC2)c(F)c1
InChIInChI=1S/C13H18FNO3S/c14-12-8-11(19(15,16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,15,16,17)
InChIKeyFTAJARADKRQNOB-UHFFFAOYSA-N
XLogP2.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
CID 79558786
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
CID 116522475
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
4-(cyclobutylmethoxy)-3-[2-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 91599134
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide (CID 43164449) is 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(OCC2CCCCC2)c(F)c1.
What is the InChIKey of 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide?
The InChIKey is FTAJARADKRQNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c14-12-8-11(19(15,16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,15,16,17).
What are the key properties of 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide?
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 43164449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).