4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid

C12H12ClN3O4S — CID 104617667

IUPAC4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C12H12ClN3O4S/c1-2-7-6-14-15-11(7)16-21(19,20)10-5-8(12(17)18)3-4-9(10)13/h3-6H,2H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyHDBFXFBFPZKVRU-UHFFFAOYSA-N
MW329.77 g/mol
LogP2.12
Rot. Bonds5

About 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid

4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid (PubChem CID 104617667) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
PubChem CID104617667
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC Name4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C12H12ClN3O4S/c1-2-7-6-14-15-11(7)16-21(19,20)10-5-8(12(17)18)3-4-9(10)13/h3-6H,2H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyHDBFXFBFPZKVRU-UHFFFAOYSA-N
XLogP2.12
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617664
4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
CID 107641501
4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 104617678
2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide
CID 104620991
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216345
4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 63327821
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617270

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid (CID 104617667) is 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid is CCc1cn[nH]c1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
The InChIKey is HDBFXFBFPZKVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c1-2-7-6-14-15-11(7)16-21(19,20)10-5-8(12(17)18)3-4-9(10)13/h3-6H,2H2,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid has a molecular weight of 329.77 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 104617667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).