5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide

C14H21FN2O2S — CID 61466373

IUPAC5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O2S/c1-2-10-5-3-4-6-13(10)17-20(18,19)14-9-11(16)7-8-12(14)15/h7-10,13,17H,2-6,16H2,1H3
InChIKeyOGMVJPKCGLCKHU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.65
Rot. Bonds4

About 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide

5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide (PubChem CID 61466373) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
PubChem CID61466373
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O2S/c1-2-10-5-3-4-6-13(10)17-20(18,19)14-9-11(16)7-8-12(14)15/h7-10,13,17H,2-6,16H2,1H3
InChIKeyOGMVJPKCGLCKHU-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288721
5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213608
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
CID 61466502
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide (CID 61466373) is 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide is CCC1CCCCC1NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The InChIKey is OGMVJPKCGLCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-2-10-5-3-4-6-13(10)17-20(18,19)14-9-11(16)7-8-12(14)15/h7-10,13,17H,2-6,16H2,1H3.
What are the key properties of 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 61466373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).