3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid

C15H19N3O4S — CID 4847731

IUPAC3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c1C
InChIInChI=1S/C15H19N3O4S/c1-8-6-12(15(19)20)7-13(9(8)2)23(21,22)17-14-10(3)16-18(5)11(14)4/h6-7,17H,1-5H3,(H,19,20)
InChIKeyZNMPAFLEKZONSP-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.15
Rot. Bonds4

About 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid

3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid (PubChem CID 4847731) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid
PubChem CID4847731
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c1C
InChIInChI=1S/C15H19N3O4S/c1-8-6-12(15(19)20)7-13(9(8)2)23(21,22)17-14-10(3)16-18(5)11(14)4/h6-7,17H,1-5H3,(H,19,20)
InChIKeyZNMPAFLEKZONSP-UHFFFAOYSA-N
XLogP2.15
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid (CID 4847731) is 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c1C.
What is the InChIKey of 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid?
The InChIKey is ZNMPAFLEKZONSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-8-6-12(15(19)20)7-13(9(8)2)23(21,22)17-14-10(3)16-18(5)11(14)4/h6-7,17H,1-5H3,(H,19,20).
What are the key properties of 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid?
3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid has a molecular weight of 337.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 4847731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).