N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide

C12H16F2N2O2S — CID 62955173

IUPACN-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c13-9-4-5-12(10(14)6-9)19(17,18)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3,7,15H2
InChIKeyMJAGTFPJDNPSDN-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.37
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide

N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide (PubChem CID 62955173) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
PubChem CID62955173
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S/c13-9-4-5-12(10(14)6-9)19(17,18)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3,7,15H2
InChIKeyMJAGTFPJDNPSDN-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
CID 129368623
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 124690616
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide (CID 62955173) is N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide is NCC1CCCC1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is MJAGTFPJDNPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c13-9-4-5-12(10(14)6-9)19(17,18)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3,7,15H2.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide?
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 62955173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).