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

C15H23FN2O2S — CID 106053054

IUPAC5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)ccc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-3-6-13(7-4-11)18-21(19,20)15-9-12(10-17)5-8-14(15)16/h5,8-9,11,13,18H,2-4,6-7,10,17H2,1H3
InChIKeyMSJRCKUNDRRZOL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.53
Rot. Bonds5

About 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide

5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide (PubChem CID 106053054) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
PubChem CID106053054
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)ccc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-3-6-13(7-4-11)18-21(19,20)15-9-12(10-17)5-8-14(15)16/h5,8-9,11,13,18H,2-4,6-7,10,17H2,1H3
InChIKeyMSJRCKUNDRRZOL-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

5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 106053096
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
2-[(4-ethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61470175
3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379325
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide (CID 106053054) is 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cc(CN)ccc2F)CC1.
What is the InChIKey of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The InChIKey is MSJRCKUNDRRZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-11-3-6-13(7-4-11)18-21(19,20)15-9-12(10-17)5-8-14(15)16/h5,8-9,11,13,18H,2-4,6-7,10,17H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N-(4-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 5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106053054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).