3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid

C16H16N2O4S — CID 53224683

IUPAC3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H16N2O4S/c19-16(20)14-7-8-17-11-15(14)12-3-5-13(6-4-12)23(21,22)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,19,20)
InChIKeyHIRFNJGVPKSRBW-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.23
Rot. Bonds4

About 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid

3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid (PubChem CID 53224683) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
PubChem CID53224683
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H16N2O4S/c19-16(20)14-7-8-17-11-15(14)12-3-5-13(6-4-12)23(21,22)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,19,20)
InChIKeyHIRFNJGVPKSRBW-UHFFFAOYSA-N
XLogP2.23
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
2-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224682
4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-pyridinyl]benzamide
CID 3404667
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
5-(4-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837184
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
6-oxo-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1H-pyrimidine-5-carboxylic acid
CID 53214769
6-oxo-2-[(4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1H-pyrimidine-5-carboxylic acid
CID 100802359

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid (CID 53224683) is 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1-c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid?
The InChIKey is HIRFNJGVPKSRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-16(20)14-7-8-17-11-15(14)12-3-5-13(6-4-12)23(21,22)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,19,20).
What are the key properties of 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid?
3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53224683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).