2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid

C17H17NO5S — CID 53228934

IUPAC2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1O
InChIInChI=1S/C17H17NO5S/c19-16-11-13(6-7-15(16)17(20)21)12-4-3-5-14(10-12)24(22,23)18-8-1-2-9-18/h3-7,10-11,19H,1-2,8-9H2,(H,20,21)
InChIKeyDZBOPBDXUWHDOJ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.54
Rot. Bonds4

About 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid

2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid (PubChem CID 53228934) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
PubChem CID53228934
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1O
InChIInChI=1S/C17H17NO5S/c19-16-11-13(6-7-15(16)17(20)21)12-4-3-5-14(10-12)24(22,23)18-8-1-2-9-18/h3-7,10-11,19H,1-2,8-9H2,(H,20,21)
InChIKeyDZBOPBDXUWHDOJ-UHFFFAOYSA-N
XLogP2.54
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic 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

2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220672
3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
CID 53218745
2-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-3-ol
CID 53218283
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
1-(3-phenylphenyl)sulfonyl-1,4-diazepane
CID 120999353
2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
3-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 18801888
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760
2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
CID 53221589
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid (CID 53228934) is 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid is O=C(O)c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1O.
What is the InChIKey of 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid?
The InChIKey is DZBOPBDXUWHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-16-11-13(6-7-15(16)17(20)21)12-4-3-5-14(10-12)24(22,23)18-8-1-2-9-18/h3-7,10-11,19H,1-2,8-9H2,(H,20,21).
What are the key properties of 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid?
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid has a molecular weight of 347.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzoic acid is sourced from PubChem (CID 53228934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).