4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide

C14H21FN2O2S — CID 106069126

IUPAC4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CN)cc2F)C1C
InChIInChI=1S/C14H21FN2O2S/c1-9-3-5-13(10(9)2)17-20(18,19)14-6-4-11(8-16)7-12(14)15/h4,6-7,9-10,13,17H,3,5,8,16H2,1-2H3
InChIKeyCMXIXICNHZTQSJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.00
Rot. Bonds4

About 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide

4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide (PubChem CID 106069126) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
PubChem CID106069126
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CN)cc2F)C1C
InChIInChI=1S/C14H21FN2O2S/c1-9-3-5-13(10(9)2)17-20(18,19)14-6-4-11(8-16)7-12(14)15/h4,6-7,9-10,13,17H,3,5,8,16H2,1-2H3
InChIKeyCMXIXICNHZTQSJ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
CID 79178105
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 64907541
4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 79189663
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
CID 64921745

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide (CID 106069126) is 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(CN)cc2F)C1C.
What is the InChIKey of 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
The InChIKey is CMXIXICNHZTQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9-3-5-13(10(9)2)17-20(18,19)14-6-4-11(8-16)7-12(14)15/h4,6-7,9-10,13,17H,3,5,8,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106069126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).