5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid

C11H10ClN3O4S — CID 82890326

IUPAC5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H10ClN3O4S/c1-6-9(11(16)17)2-7(12)3-10(6)20(18,19)15-8-4-13-14-5-8/h2-5,15H,1H3,(H,13,14)(H,16,17)
InChIKeyYNEGPCQKMVIOAG-UHFFFAOYSA-N
MW315.74 g/mol
LogP1.87
Rot. Bonds4

About 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid

5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid (PubChem CID 82890326) has the molecular formula C11H10ClN3O4S and a molecular weight of 315.74 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
PubChem CID82890326
Molecular FormulaC11H10ClN3O4S
Molecular Weight315.74 g/mol
Exact Mass315.01
IUPAC Name5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H10ClN3O4S/c1-6-9(11(16)17)2-7(12)3-10(6)20(18,19)15-8-4-13-14-5-8/h2-5,15H,1H3,(H,13,14)(H,16,17)
InChIKeyYNEGPCQKMVIOAG-UHFFFAOYSA-N
XLogP1.87
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-3-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 82813853
2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 43540191
5-chloro-2-methyl-3-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 82874958
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
3,5-dichloro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532761
5-chloro-2-methyl-3-[[4-(2-oxoimidazolidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 166190147
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540598
5-chloro-2-methyl-3-(2-methylpropoxysulfamoyl)benzoic acid
CID 82890604
5-chloro-2-methyl-3-(prop-2-ynylsulfamoyl)benzoic acid
CID 82883031
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
5-chloro-3-(hex-1-yn-3-ylsulfamoyl)-2-methylbenzoic acid
CID 106224311
4,5-dimethyl-2-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540522

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid (CID 82890326) is 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid is Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
The InChIKey is YNEGPCQKMVIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S/c1-6-9(11(16)17)2-7(12)3-10(6)20(18,19)15-8-4-13-14-5-8/h2-5,15H,1H3,(H,13,14)(H,16,17).
What are the key properties of 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid?
5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid has a molecular weight of 315.74 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 82890326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).