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

C12H13N3O4S — CID 104617664

IUPAC3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H13N3O4S/c1-2-8-7-13-14-11(8)15-20(18,19)10-5-3-4-9(6-10)12(16)17/h3-7H,2H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyDTVUQCGIWWPQGI-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.47
Rot. Bonds5

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

3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid (PubChem CID 104617664) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
PubChem CID104617664
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H13N3O4S/c1-2-8-7-13-14-11(8)15-20(18,19)10-5-3-4-9(6-10)12(16)17/h3-7H,2H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyDTVUQCGIWWPQGI-UHFFFAOYSA-N
XLogP1.47
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617667
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
CID 116786477
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 79496945
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid (CID 104617664) is 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid is CCc1cn[nH]c1NS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
The InChIKey is DTVUQCGIWWPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-2-8-7-13-14-11(8)15-20(18,19)10-5-3-4-9(6-10)12(16)17/h3-7H,2H2,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid?
3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid has a molecular weight of 295.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 104617664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).