5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid

C16H17N3O5S — CID 53056717

IUPAC5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H17N3O5S/c1-10(20)11-4-6-13(7-5-11)25(23,24)18-12-8-14(16(21)22)15(17-9-12)19(2)3/h4-9,18H,1-3H3,(H,21,22)
InChIKeyKNDTYADLHYPDES-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.85
Rot. Bonds6

About 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid

5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid (PubChem CID 53056717) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
PubChem CID53056717
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)O)c2)cc1
InChIInChI=1S/C16H17N3O5S/c1-10(20)11-4-6-13(7-5-11)25(23,24)18-12-8-14(16(21)22)15(17-9-12)19(2)3/h4-9,18H,1-3H3,(H,21,22)
InChIKeyKNDTYADLHYPDES-UHFFFAOYSA-N
XLogP1.85
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53056657
2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 50766388
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
CID 53056707
5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 53056737
2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056716
5-[(5-bromothiophen-2-yl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53024854
5-[(4-acetylphenyl)sulfonylamino]-2-(azepan-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154578406
2-[benzyl(methyl)amino]-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024608
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
CID 53056671
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024735
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 46292042

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid (CID 53056717) is 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid is CC(=O)c1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid?
The InChIKey is KNDTYADLHYPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10(20)11-4-6-13(7-5-11)25(23,24)18-12-8-14(16(21)22)15(17-9-12)19(2)3/h4-9,18H,1-3H3,(H,21,22).
What are the key properties of 5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid?
5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid has a molecular weight of 363.40 g/mol, XLogP of 1.85, 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-(dimethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 53056717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).