[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H13Cl2NO3S — CID 66260963

IUPAC[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1CO
InChIInChI=1S/C11H13Cl2NO3S/c12-8-4-9(13)6-11(5-8)18(16,17)14-3-1-2-10(14)7-15/h4-6,10,15H,1-3,7H2/t10-/m0/s1
InChIKeyNGZRSTWHHILKGL-JTQLQIEISA-N
MW310.20 g/mol
LogP2.14
Rot. Bonds3

About [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 66260963) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID66260963
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1CO
InChIInChI=1S/C11H13Cl2NO3S/c12-8-4-9(13)6-11(5-8)18(16,17)14-3-1-2-10(14)7-15/h4-6,10,15H,1-3,7H2/t10-/m0/s1
InChIKeyNGZRSTWHHILKGL-JTQLQIEISA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol 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

[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
2-chloro-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215234
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070785
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
2-fluoro-5-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 61408927
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 66260963) is [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is NGZRSTWHHILKGL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c12-8-4-9(13)6-11(5-8)18(16,17)14-3-1-2-10(14)7-15/h4-6,10,15H,1-3,7H2/t10-/m0/s1.
What are the key properties of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 310.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 66260963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).