4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid

C14H17N3O4S — CID 56813250

IUPAC4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(CC)c1
InChIInChI=1S/C14H17N3O4S/c1-3-10-5-6-11(14(18)19)7-13(10)22(20,21)16-12-8-15-17(4-2)9-12/h5-9,16H,3-4H2,1-2H3,(H,18,19)
InChIKeyRITYOVRTCKDQBO-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.96
Rot. Bonds6

About 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid

4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid (PubChem CID 56813250) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
PubChem CID56813250
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(CC)c1
InChIInChI=1S/C14H17N3O4S/c1-3-10-5-6-11(14(18)19)7-13(10)22(20,21)16-12-8-15-17(4-2)9-12/h5-9,16H,3-4H2,1-2H3,(H,18,19)
InChIKeyRITYOVRTCKDQBO-UHFFFAOYSA-N
XLogP1.96
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872227
3-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methylbenzoic acid
CID 63744322
4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid
CID 56796410
ethyl 3-bromo-4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoate
CID 39836984
4-ethyl-3-(methylsulfamoyl)benzoic acid
CID 43311481
4-ethyl-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387125
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
3-amino-4-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 81470973
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 114911938

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid (CID 56813250) is 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid is CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(CC)c1.
What is the InChIKey of 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The InChIKey is RITYOVRTCKDQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-3-10-5-6-11(14(18)19)7-13(10)22(20,21)16-12-8-15-17(4-2)9-12/h5-9,16H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid?
4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid has a molecular weight of 323.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 56813250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).