N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide

C13H18F2N2O2S — CID 62010238

IUPACN-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1(CN)CCCC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2S/c1-17(13(9-16)6-2-3-7-13)20(18,19)12-5-4-10(14)8-11(12)15/h4-5,8H,2-3,6-7,9,16H2,1H3
InChIKeyGSUDHLYTBLCMGA-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 62010238) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID62010238
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1(CN)CCCC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2S/c1-17(13(9-16)6-2-3-7-13)20(18,19)12-5-4-10(14)8-11(12)15/h4-5,8H,2-3,6-7,9,16H2,1H3
InChIKeyGSUDHLYTBLCMGA-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
CID 167982152
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide
CID 62007612
N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
CID 62008627
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 102638748
2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine
CID 65494913
1-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclopentan-1-amine
CID 62009826
N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 62983286
4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947090
N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062769
N-[1-(aminomethyl)cyclopentyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 62008228
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62009856

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide (CID 62010238) is N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide is CN(C1(CN)CCCC1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is GSUDHLYTBLCMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-17(13(9-16)6-2-3-7-13)20(18,19)12-5-4-10(14)8-11(12)15/h4-5,8H,2-3,6-7,9,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62010238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).