2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C13H19FN2O2S — CID 43653542

IUPAC2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O2S/c1-15-10-6-8-11(9-7-10)16-19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyQTPYWSFJFCYVOP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.63
Rot. Bonds4

About 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 43653542) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID43653542
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O2S/c1-15-10-6-8-11(9-7-10)16-19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyQTPYWSFJFCYVOP-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
CID 65033519
N-(3-aminocyclopentyl)-2-fluorobenzenesulfonamide
CID 115272790
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 60639849
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluorobenzenesulfonamide
CID 43597983
N-(2-adamantyl)-2-fluorobenzenesulfonamide
CID 60652258

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 43653542) is 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(NS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is QTPYWSFJFCYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-15-10-6-8-11(9-7-10)16-19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 43653542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).