4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid

C14H17N3O5S — CID 132971536

IUPAC4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCOCCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1
InChIInChI=1S/C14H17N3O5S/c1-17-13(14(18)19)12(9-15-17)16-23(20,21)11-5-3-10(4-6-11)7-8-22-2/h3-6,9,16H,7-8H2,1-2H3,(H,18,19)
InChIKeyPOSQTLZCXKACNX-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.11
Rot. Bonds7

About 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid

4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 132971536) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID132971536
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCOCCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1
InChIInChI=1S/C14H17N3O5S/c1-17-13(14(18)19)12(9-15-17)16-23(20,21)11-5-3-10(4-6-11)7-8-22-2/h3-6,9,16H,7-8H2,1-2H3,(H,18,19)
InChIKeyPOSQTLZCXKACNX-UHFFFAOYSA-N
XLogP1.11
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
CID 146124933
2-[(4-butylphenyl)sulfonylamino]-5-[[4-[3-carboxy-4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]anilino]-4-oxobutanoyl]amino]benzoic acid
CID 171922028
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
2-[[4-[4-(2-methoxyethyl)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 136551844
5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
N-[4-[(1,5-dimethylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209149
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
N-(1,5-dimethylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 22209123
N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
CID 49202399
2-[(4-hexylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 84552363
1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
CID 19410607
N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 126823958

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid (CID 132971536) is 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid is COCCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1.
What is the InChIKey of 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is POSQTLZCXKACNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-17-13(14(18)19)12(9-15-17)16-23(20,21)11-5-3-10(4-6-11)7-8-22-2/h3-6,9,16H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 132971536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).