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

C15H23FN2O2S — CID 106068638

IUPAC4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccc(CN)cc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(10-17)9-14(15)16/h6-7,9,11,13,18H,2-5,8,10,17H2,1H3
InChIKeyGXMQSGXUIQSYPR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.53
Rot. Bonds5

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

4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide (PubChem CID 106068638) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
PubChem CID106068638
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccc(CN)cc2F)C1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(10-17)9-14(15)16/h6-7,9,11,13,18H,2-5,8,10,17H2,1H3
InChIKeyGXMQSGXUIQSYPR-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

Analyze 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64748607
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64748610
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide (CID 106068638) is 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide is CCC1CCCC(NS(=O)(=O)c2ccc(CN)cc2F)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The InChIKey is GXMQSGXUIQSYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(10-17)9-14(15)16/h6-7,9,11,13,18H,2-5,8,10,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-(3-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-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106068638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).