[(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol

C18H19F2NO3S — CID 127037391

IUPAC[(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)ccc1F
InChIInChI=1S/C18H19F2NO3S/c1-12-10-16(7-8-17(12)20)25(23,24)21-15(11-22)6-9-18(21)13-2-4-14(19)5-3-13/h2-5,7-8,10,15,18,22H,6,9,11H2,1H3/t15-,18+/m0/s1
InChIKeyLDWKVFAOUNQPHG-MAUKXSAKSA-N
MW367.42 g/mol
LogP3.16
Rot. Bonds4

About [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol

[(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol (PubChem CID 127037391) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol
PubChem CID127037391
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name[(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)ccc1F
InChIInChI=1S/C18H19F2NO3S/c1-12-10-16(7-8-17(12)20)25(23,24)21-15(11-22)6-9-18(21)13-2-4-14(19)5-3-13/h2-5,7-8,10,15,18,22H,6,9,11H2,1H3/t15-,18+/m0/s1
InChIKeyLDWKVFAOUNQPHG-MAUKXSAKSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol (CID 127037391) is [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol is Cc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)ccc1F.
What is the InChIKey of [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is LDWKVFAOUNQPHG-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-12-10-16(7-8-17(12)20)25(23,24)21-15(11-22)6-9-18(21)13-2-4-14(19)5-3-13/h2-5,7-8,10,15,18,22H,6,9,11H2,1H3/t15-,18+/m0/s1.
What are the key properties of [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol?
[(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 367.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 127037391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).