4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid

C24H20FN5O4S — CID 155271479

IUPAC4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid
SMILESCn1ncnc1-c1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c(-c2ccccn2)cc1F
InChIInChI=1S/C24H20FN5O4S/c1-30-23(27-13-28-30)17-12-21(18(11-19(17)25)20-4-2-3-9-26-20)29-35(33,34)22-10-15(24(31)32)7-8-16(22)14-5-6-14/h2-4,7-14,29H,5-6H2,1H3,(H,31,32)
InChIKeyKEZVJKLVZJAJJO-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.06
Rot. Bonds7

About 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid

4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid (PubChem CID 155271479) has the molecular formula C24H20FN5O4S and a molecular weight of 493.52 g/mol. Its IUPAC name is 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid
PubChem CID155271479
Molecular FormulaC24H20FN5O4S
Molecular Weight493.52 g/mol
Exact Mass493.12
IUPAC Name4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid
SMILESCn1ncnc1-c1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c(-c2ccccn2)cc1F
InChIInChI=1S/C24H20FN5O4S/c1-30-23(27-13-28-30)17-12-21(18(11-19(17)25)20-4-2-3-9-26-20)29-35(33,34)22-10-15(24(31)32)7-8-16(22)14-5-6-14/h2-4,7-14,29H,5-6H2,1H3,(H,31,32)
InChIKeyKEZVJKLVZJAJJO-UHFFFAOYSA-N
XLogP4.06
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

4-Methyl-3-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]benzoic acid
CID 39000676
3,4-Dimethyl-5-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]benzoic acid
CID 39000695
4-[[1-(3-Propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid
CID 53303559
5-Butyl-4-[[4-[2-(pyrimidin-2-ylsulfamoyl)phenyl]phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 67869729
4-[2-[1-(3-Propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]ethyl]benzoic acid
CID 90004256
1-[5-(2-Fluorophenyl)pyrimidin-2-yl]-3-(methylsulfamoyl)indole-6-carboxylic acid
CID 118666221
3-[(5-Cyano-4-fluoro-2-pyrimidin-2-ylphenyl)sulfamoyl]-4-cyclopropylbenzoic acid
CID 155271195
4-Cyclopropyl-3-[[4-fluoro-5-(2-methylpyrazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid
CID 155271209
Methyl 4-cyclopropyl-3-[[4-fluoro-5-(2-methylpyrazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoate
CID 155271228
Methyl 3-[(5-cyano-4-fluoro-2-pyrimidin-2-ylphenyl)sulfamoyl]-4-cyclopropylbenzoate
CID 155271288
4-Cyclopropyl-3-[[4-fluoro-2-pyrrol-1-yl-5-(tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 155271309
Methyl 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]benzoate
CID 155271380

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid (CID 155271479) is 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid is Cn1ncnc1-c1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c(-c2ccccn2)cc1F.
What is the InChIKey of 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid?
The InChIKey is KEZVJKLVZJAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O4S/c1-30-23(27-13-28-30)17-12-21(18(11-19(17)25)20-4-2-3-9-26-20)29-35(33,34)22-10-15(24(31)32)7-8-16(22)14-5-6-14/h2-4,7-14,29H,5-6H2,1H3,(H,31,32).
What are the key properties of 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid?
4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid has a molecular weight of 493.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[[4-fluoro-5-(2-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylphenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 155271479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).