5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

C14H14ClN3O4S2 — CID 53024698

IUPAC5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)s2)cnc1N1CCCC1
InChIInChI=1S/C14H14ClN3O4S2/c15-11-3-4-12(23-11)24(21,22)17-9-7-10(14(19)20)13(16-8-9)18-5-1-2-6-18/h3-4,7-8,17H,1-2,5-6H2,(H,19,20)
InChIKeyNIBGUCYBYBOTSX-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.90
Rot. Bonds5

About 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 53024698) has the molecular formula C14H14ClN3O4S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID53024698
Molecular FormulaC14H14ClN3O4S2
Molecular Weight387.87 g/mol
Exact Mass387.01
IUPAC Name5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)s2)cnc1N1CCCC1
InChIInChI=1S/C14H14ClN3O4S2/c15-11-3-4-12(23-11)24(21,22)17-9-7-10(14(19)20)13(16-8-9)18-5-1-2-6-18/h3-4,7-8,17H,1-2,5-6H2,(H,19,20)
InChIKeyNIBGUCYBYBOTSX-UHFFFAOYSA-N
XLogP2.90
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024673
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054547
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054749
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054643
2-(azocan-1-yl)-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054712
2-(azocan-1-yl)-5-[(4-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024789
2-pyrrolidin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53004779
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798
2-(azocan-1-yl)-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024812
2-pyrrolidin-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53004776
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
CID 53056707
2-(azocan-1-yl)-5-[(2,5-difluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054714

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 53024698) is 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)s2)cnc1N1CCCC1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is NIBGUCYBYBOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S2/c15-11-3-4-12(23-11)24(21,22)17-9-7-10(14(19)20)13(16-8-9)18-5-1-2-6-18/h3-4,7-8,17H,1-2,5-6H2,(H,19,20).
What are the key properties of 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 387.87 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 53024698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).