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

C15H23FN2O2S — CID 63288721

IUPAC3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-5-3-4-6-15(11)18-21(19,20)13-7-8-14(16)12(9-13)10-17/h7-9,11,15,18H,2-6,10,17H2,1H3
InChIKeyFISHESOFZMJARL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.53
Rot. Bonds5

About 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide (PubChem CID 63288721) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
PubChem CID63288721
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-5-3-4-6-15(11)18-21(19,20)13-7-8-14(16)12(9-13)10-17/h7-9,11,15,18H,2-6,10,17H2,1H3
InChIKeyFISHESOFZMJARL-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

3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 124690616
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide (CID 63288721) is 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide is CCC1CCCCC1NS(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The InChIKey is FISHESOFZMJARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-11-5-3-4-6-15(11)18-21(19,20)13-7-8-14(16)12(9-13)10-17/h7-9,11,15,18H,2-6,10,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-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 3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63288721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).