1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride

C13H18Cl2F2N2O2S — CID 175169941

IUPAC1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride
SMILESCC([C@H]1[C@H](F)CN[C@H]1Cc1cccc(Cl)c1F)S(N)(=O)=O.Cl
InChIInChI=1S/C13H17ClF2N2O2S.ClH/c1-7(21(17,19)20)12-10(15)6-18-11(12)5-8-3-2-4-9(14)13(8)16;/h2-4,7,10-12,18H,5-6H2,1H3,(H2,17,19,20);1H/t7?,10-,11+,12+;/m1./s1
InChIKeySDYJMJGTBMJKHW-WUORLZQCSA-N
MW375.27 g/mol
LogP2.05
Rot. Bonds4

About 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride

1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride (PubChem CID 175169941) has the molecular formula C13H18Cl2F2N2O2S and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride
PubChem CID175169941
Molecular FormulaC13H18Cl2F2N2O2S
Molecular Weight375.27 g/mol
Exact Mass374.04
IUPAC Name1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride
SMILESCC([C@H]1[C@H](F)CN[C@H]1Cc1cccc(Cl)c1F)S(N)(=O)=O.Cl
InChIInChI=1S/C13H17ClF2N2O2S.ClH/c1-7(21(17,19)20)12-10(15)6-18-11(12)5-8-3-2-4-9(14)13(8)16;/h2-4,7,10-12,18H,5-6H2,1H3,(H2,17,19,20);1H/t7?,10-,11+,12+;/m1./s1
InChIKeySDYJMJGTBMJKHW-WUORLZQCSA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride 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-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide
CID 154617199
N-[(2S,3R,4S)-4-fluoro-2-[(2-fluoro-3-phenylphenyl)methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 154617031
3-chloro-4-[(3-chloro-2-fluorophenyl)methyl]thiolane
CID 102858343
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylbutan-2-one
CID 102865647
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
CID 102868874
1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 102862470
[(2S,3R,4S)-1-(bicyclo[1.1.1]pentane-1-carbonyl)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]methanesulfonamide
CID 176846349
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 102864838

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride?
The IUPAC name of 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride (CID 175169941) is 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride?
The canonical SMILES for 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride is CC([C@H]1[C@H](F)CN[C@H]1Cc1cccc(Cl)c1F)S(N)(=O)=O.Cl.
What is the InChIKey of 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride?
The InChIKey is SDYJMJGTBMJKHW-WUORLZQCSA-N. The full InChI is InChI=1S/C13H17ClF2N2O2S.ClH/c1-7(21(17,19)20)12-10(15)6-18-11(12)5-8-3-2-4-9(14)13(8)16;/h2-4,7,10-12,18H,5-6H2,1H3,(H2,17,19,20);1H/t7?,10-,11+,12+;/m1./s1.
What are the key properties of 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride?
1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride has a molecular weight of 375.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4S)-2-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 175169941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).