5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C12H13N3O5S — CID 60911407

IUPAC5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOc1cccc(CNS(=O)(=O)c2[nH]ncc2C(=O)O)c1
InChIInChI=1S/C12H13N3O5S/c1-20-9-4-2-3-8(5-9)6-14-21(18,19)11-10(12(16)17)7-13-15-11/h2-5,7,14H,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyWZKTUXNILOEUQF-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.60
Rot. Bonds6

About 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60911407) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60911407
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOc1cccc(CNS(=O)(=O)c2[nH]ncc2C(=O)O)c1
InChIInChI=1S/C12H13N3O5S/c1-20-9-4-2-3-8(5-9)6-14-21(18,19)11-10(12(16)17)7-13-15-11/h2-5,7,14H,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyWZKTUXNILOEUQF-UHFFFAOYSA-N
XLogP0.60
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925
5-[(4-cyanophenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60917739
5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106415108
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 3237854
3-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 60911333
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60911407) is 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is COc1cccc(CNS(=O)(=O)c2[nH]ncc2C(=O)O)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is WZKTUXNILOEUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-20-9-4-2-3-8(5-9)6-14-21(18,19)11-10(12(16)17)7-13-15-11/h2-5,7,14H,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60911407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).