N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide

C13H19FN2O4S2 — CID 124690616

IUPACN-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1F
InChIInChI=1S/C13H19FN2O4S2/c1-21(17,18)13-6-5-10(7-11(13)14)22(19,20)16-12-4-2-3-9(12)8-15/h5-7,9,12,16H,2-4,8,15H2,1H3/t9-,12-/m0/s1
InChIKeyCDLBRQWEXGCOKL-CABZTGNLSA-N
MW350.44 g/mol
LogP0.63
Rot. Bonds5

About N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide

N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide (PubChem CID 124690616) has the molecular formula C13H19FN2O4S2 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
PubChem CID124690616
Molecular FormulaC13H19FN2O4S2
Molecular Weight350.44 g/mol
Exact Mass350.08
IUPAC NameN-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1F
InChIInChI=1S/C13H19FN2O4S2/c1-21(17,18)13-6-5-10(7-11(13)14)22(19,20)16-12-4-2-3-9(12)8-15/h5-7,9,12,16H,2-4,8,15H2,1H3/t9-,12-/m0/s1
InChIKeyCDLBRQWEXGCOKL-CABZTGNLSA-N
XLogP0.63
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride
CID 120875272
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120711138
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698250
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-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 124694470

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide (CID 124690616) is N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1F.
What is the InChIKey of N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide?
The InChIKey is CDLBRQWEXGCOKL-CABZTGNLSA-N. The full InChI is InChI=1S/C13H19FN2O4S2/c1-21(17,18)13-6-5-10(7-11(13)14)22(19,20)16-12-4-2-3-9(12)8-15/h5-7,9,12,16H,2-4,8,15H2,1H3/t9-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide?
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 124690616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).