5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid

C21H25N3O5S — CID 53056707

IUPAC5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15(25)16-7-9-18(10-8-16)30(28,29)23-17-13-19(21(26)27)20(22-14-17)24-11-5-3-2-4-6-12-24/h7-10,13-14,23H,2-6,11-12H2,1H3,(H,26,27)
InChIKeyHQCYAPSZJRDISE-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.55
Rot. Bonds6

About 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid

5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid (PubChem CID 53056707) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
PubChem CID53056707
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15(25)16-7-9-18(10-8-16)30(28,29)23-17-13-19(21(26)27)20(22-14-17)24-11-5-3-2-4-6-12-24/h7-10,13-14,23H,2-6,11-12H2,1H3,(H,26,27)
InChIKeyHQCYAPSZJRDISE-UHFFFAOYSA-N
XLogP3.55
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-acetylphenyl)sulfonylamino]-2-(azepan-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154578406
2-(azocan-1-yl)-5-[(4-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024789
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798
2-(azocan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054691
2-(azocan-1-yl)-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024812
2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054535
2-pyrrolidin-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53004776
5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53056717
2-pyrrolidin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53004779
5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53056710
2-(azepan-1-yl)-5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024673
5-[(3,4-dimethylphenyl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53024764

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid (CID 53056707) is 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid is CC(=O)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid?
The InChIKey is HQCYAPSZJRDISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15(25)16-7-9-18(10-8-16)30(28,29)23-17-13-19(21(26)27)20(22-14-17)24-11-5-3-2-4-6-12-24/h7-10,13-14,23H,2-6,11-12H2,1H3,(H,26,27).
What are the key properties of 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid?
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid has a molecular weight of 431.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53056707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).