3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid

C21H17N5O4S — CID 175905249

IUPAC3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-n3cc(-c4cnccc4C(=O)O)nn3)c2)cc1
InChIInChI=1S/C21H17N5O4S/c1-14-5-7-17(8-6-14)31(29,30)24-15-3-2-4-16(11-15)26-13-20(23-25-26)19-12-22-10-9-18(19)21(27)28/h2-13,24H,1H3,(H,27,28)
InChIKeyYITLNZZTCXCIMQ-UHFFFAOYSA-N
MW435.47 g/mol
LogP3.14
Rot. Bonds6

About 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid

3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 175905249) has the molecular formula C21H17N5O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid
PubChem CID175905249
Molecular FormulaC21H17N5O4S
Molecular Weight435.47 g/mol
Exact Mass435.10
IUPAC Name3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-n3cc(-c4cnccc4C(=O)O)nn3)c2)cc1
InChIInChI=1S/C21H17N5O4S/c1-14-5-7-17(8-6-14)31(29,30)24-15-3-2-4-16(11-15)26-13-20(23-25-26)19-12-22-10-9-18(19)21(27)28/h2-13,24H,1H3,(H,27,28)
InChIKeyYITLNZZTCXCIMQ-UHFFFAOYSA-N
XLogP3.14
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-[(4-methylphenyl)sulfonylamino]-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 177154868
1-[3-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 169372239
3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
CID 53224449
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874022
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50766095
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
CID 146293961

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid (CID 175905249) is 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cccc(-n3cc(-c4cnccc4C(=O)O)nn3)c2)cc1.
What is the InChIKey of 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is YITLNZZTCXCIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4S/c1-14-5-7-17(8-6-14)31(29,30)24-15-3-2-4-16(11-15)26-13-20(23-25-26)19-12-22-10-9-18(19)21(27)28/h2-13,24H,1H3,(H,27,28).
What are the key properties of 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 435.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 175905249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).