3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid

C13H9N3O4S — CID 115602113

IUPAC3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cn1
InChIInChI=1S/C13H9N3O4S/c14-7-11-4-5-12(8-15-11)21(19,20)16-10-3-1-2-9(6-10)13(17)18/h1-6,8,16H,(H,17,18)
InChIKeyZLLUNSRGLGUAJI-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.45
Rot. Bonds4

About 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid

3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 115602113) has the molecular formula C13H9N3O4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
PubChem CID115602113
Molecular FormulaC13H9N3O4S
Molecular Weight303.30 g/mol
Exact Mass303.03
IUPAC Name3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cn1
InChIInChI=1S/C13H9N3O4S/c14-7-11-4-5-12(8-15-11)21(19,20)16-10-3-1-2-9(6-10)13(17)18/h1-6,8,16H,(H,17,18)
InChIKeyZLLUNSRGLGUAJI-UHFFFAOYSA-N
XLogP1.45
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
3-[(6-cyano-3-pyridinyl)amino]benzoic acid
CID 113320464
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid (CID 115602113) is 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid is N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cn1.
What is the InChIKey of 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is ZLLUNSRGLGUAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4S/c14-7-11-4-5-12(8-15-11)21(19,20)16-10-3-1-2-9(6-10)13(17)18/h1-6,8,16H,(H,17,18).
What are the key properties of 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid?
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 115602113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).