4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid

C12H13N3O4S — CID 43430297

IUPAC4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C12H13N3O4S/c1-2-15-8-10(7-13-15)14-20(18,19)11-5-3-9(4-6-11)12(16)17/h3-8,14H,2H2,1H3,(H,16,17)
InChIKeyOTYUPVZZORTQFI-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.40
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid

4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid (PubChem CID 43430297) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
PubChem CID43430297
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C12H13N3O4S/c1-2-15-8-10(7-13-15)14-20(18,19)11-5-3-9(4-6-11)12(16)17/h3-8,14H,2H2,1H3,(H,16,17)
InChIKeyOTYUPVZZORTQFI-UHFFFAOYSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872227
4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 56813250
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
3-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methylbenzoic acid
CID 63744322
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
N-[5-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 31913130
1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22203721
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
N-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31913122

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid (CID 43430297) is 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid is CCn1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The InChIKey is OTYUPVZZORTQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-2-15-8-10(7-13-15)14-20(18,19)11-5-3-9(4-6-11)12(16)17/h3-8,14H,2H2,1H3,(H,16,17).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid has a molecular weight of 295.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43430297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).