2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide

C14H21FN2O2S — CID 102921092

IUPAC2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cc(F)ccc2CN)C1
InChIInChI=1S/C14H21FN2O2S/c1-14(2)6-5-12(8-14)17-20(18,19)13-7-11(15)4-3-10(13)9-16/h3-4,7,12,17H,5-6,8-9,16H2,1-2H3
InChIKeyGQJQPAAPUJKNLK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.14
Rot. Bonds4

About 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide (PubChem CID 102921092) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
PubChem CID102921092
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cc(F)ccc2CN)C1
InChIInChI=1S/C14H21FN2O2S/c1-14(2)6-5-12(8-14)17-20(18,19)13-7-11(15)4-3-10(13)9-16/h3-4,7,12,17H,5-6,8-9,16H2,1-2H3
InChIKeyGQJQPAAPUJKNLK-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide
CID 102920675
4-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-3-methylbenzenesulfonamide
CID 106919518
2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114264422
5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 114542992
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide (CID 102921092) is 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2cc(F)ccc2CN)C1.
What is the InChIKey of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
The InChIKey is GQJQPAAPUJKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-14(2)6-5-12(8-14)17-20(18,19)13-7-11(15)4-3-10(13)9-16/h3-4,7,12,17H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 102921092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).