5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid

C11H11ClFNO5S — CID 107215060

IUPAC5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](O)C2)c1F
InChIInChI=1S/C11H11ClFNO5S/c12-6-3-8(11(16)17)10(13)9(4-6)20(18,19)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5H2,(H,16,17)/t7-/m1/s1
InChIKeyCBXSECAKGDTLDL-SSDOTTSWSA-N
MW323.73 g/mol
LogP0.93
Rot. Bonds3

About 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid

5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid (PubChem CID 107215060) has the molecular formula C11H11ClFNO5S and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
PubChem CID107215060
Molecular FormulaC11H11ClFNO5S
Molecular Weight323.73 g/mol
Exact Mass323.00
IUPAC Name5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](O)C2)c1F
InChIInChI=1S/C11H11ClFNO5S/c12-6-3-8(11(16)17)10(13)9(4-6)20(18,19)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5H2,(H,16,17)/t7-/m1/s1
InChIKeyCBXSECAKGDTLDL-SSDOTTSWSA-N
XLogP0.93
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid 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

5-chloro-3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 107216000
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62943175
3,4-difluoro-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215050
5-chloro-2-fluoro-3-(3-hydroxy-3-methylazetidin-1-yl)sulfonylbenzoic acid
CID 107215635
2,6-difluoro-3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215129
2,6-difluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215059
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 62956549
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62941328
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid?
The IUPAC name of 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid (CID 107215060) is 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid.
What is the SMILES notation for 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid?
The canonical SMILES for 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid is O=C(O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](O)C2)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid?
The InChIKey is CBXSECAKGDTLDL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11ClFNO5S/c12-6-3-8(11(16)17)10(13)9(4-6)20(18,19)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5H2,(H,16,17)/t7-/m1/s1.
What are the key properties of 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid?
5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid has a molecular weight of 323.73 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid is sourced from PubChem (CID 107215060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).