2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid

C18H16N4O5S — CID 4229130

IUPAC2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
SMILESCn1nccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H16N4O5S/c1-22-16(10-11-19-22)21-28(26,27)13-8-6-12(7-9-13)20-17(23)14-4-2-3-5-15(14)18(24)25/h2-11,21H,1H3,(H,20,23)(H,24,25)
InChIKeyOGZIDCGUBUWMFX-UHFFFAOYSA-N
MW400.42 g/mol
LogP2.17
Rot. Bonds6

About 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid

2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 4229130) has the molecular formula C18H16N4O5S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID4229130
Molecular FormulaC18H16N4O5S
Molecular Weight400.42 g/mol
Exact Mass400.08
IUPAC Name2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
SMILESCn1nccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H16N4O5S/c1-22-16(10-11-19-22)21-28(26,27)13-8-6-12(7-9-13)20-17(23)14-4-2-3-5-15(14)18(24)25/h2-11,21H,1H3,(H,20,23)(H,24,25)
InChIKeyOGZIDCGUBUWMFX-UHFFFAOYSA-N
XLogP2.17
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62157548
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
calcium 2-[[4-(hydroxymethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid
CID 3085162
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43886795
2-ethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078176
2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92675622

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid (CID 4229130) is 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid is Cn1nccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is OGZIDCGUBUWMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5S/c1-22-16(10-11-19-22)21-28(26,27)13-8-6-12(7-9-13)20-17(23)14-4-2-3-5-15(14)18(24)25/h2-11,21H,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid?
2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 400.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 4229130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).