4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide

C15H23FN2O2S — CID 106002905

IUPAC4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-2-12-5-3-4-6-14(12)18-21(19,20)15-8-7-11(10-17)9-13(15)16/h7-9,12,14,18H,2-6,10,17H2,1H3
InChIKeyZUAWCZATWPHZLJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.53
Rot. Bonds5

About 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide

4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide (PubChem CID 106002905) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
PubChem CID106002905
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-2-12-5-3-4-6-14(12)18-21(19,20)15-8-7-11(10-17)9-13(15)16/h7-9,12,14,18H,2-6,10,17H2,1H3
InChIKeyZUAWCZATWPHZLJ-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
5-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-2-sulfonamide
CID 106002921
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288721
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide (CID 106002905) is 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide is CCC1CCCCC1NS(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The InChIKey is ZUAWCZATWPHZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-12-5-3-4-6-14(12)18-21(19,20)15-8-7-11(10-17)9-13(15)16/h7-9,12,14,18H,2-6,10,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106002905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).