2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

C11H9Cl2N3O4S — CID 60703802

IUPAC2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O4S/c1-16-3-2-10(14-16)15-21(19,20)9-4-6(11(17)18)7(12)5-8(9)13/h2-5H,1H3,(H,14,15)(H,17,18)
InChIKeyVKJGOOPRDGEQOT-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.23
Rot. Bonds4

About 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 60703802) has the molecular formula C11H9Cl2N3O4S and a molecular weight of 350.18 g/mol. Its IUPAC name is 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID60703802
Molecular FormulaC11H9Cl2N3O4S
Molecular Weight350.18 g/mol
Exact Mass348.97
IUPAC Name2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O4S/c1-16-3-2-10(14-16)15-21(19,20)9-4-6(11(17)18)7(12)5-8(9)13/h2-5H,1H3,(H,14,15)(H,17,18)
InChIKeyVKJGOOPRDGEQOT-UHFFFAOYSA-N
XLogP2.23
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-3-[(4-methyl-1-phenylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 71878329
2-Chloro-4-fluoro-5-[(2-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 172436561
2-Fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 25353137
2,4-Difluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 51099014
4-Chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 51099015
4-Chloro-5-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-fluorobenzoic acid
CID 51099017
4-Chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 51099019
4-Fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703855
2,6-Difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60712743
5-Chloro-2-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60809134
4-Fluoro-3-[(2-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 61805597
2-Fluoro-5-[(2-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 61805788

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (CID 60703802) is 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is Cn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is VKJGOOPRDGEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O4S/c1-16-3-2-10(14-16)15-21(19,20)9-4-6(11(17)18)7(12)5-8(9)13/h2-5H,1H3,(H,14,15)(H,17,18).
What are the key properties of 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 350.18 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60703802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).