2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid

C14H17N3O5S — CID 138001967

IUPAC2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid
SMILESCN(C)S(=O)(=O)c1cnn(CCOc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H17N3O5S/c1-16(2)23(20,21)11-9-15-17(10-11)7-8-22-13-6-4-3-5-12(13)14(18)19/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyPCUXQHKTDXZICK-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.91
Rot. Bonds7

About 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid

2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid (PubChem CID 138001967) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid
PubChem CID138001967
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid
SMILESCN(C)S(=O)(=O)c1cnn(CCOc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H17N3O5S/c1-16(2)23(20,21)11-9-15-17(10-11)7-8-22-13-6-4-3-5-12(13)14(18)19/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyPCUXQHKTDXZICK-UHFFFAOYSA-N
XLogP0.91
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chloropyrazol-1-yl)propoxy]benzoic acid
CID 55179546
2-[2-(1-ethylpyrazol-4-yl)oxyethoxy]benzoic acid
CID 116800060
2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]benzoic acid
CID 61384856
1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167763013
2-[2-[4-[[(4-methoxyphenyl)methyl-methylamino]methyl]triazol-1-yl]ethoxy]benzoic acid
CID 166300224
2-[3-(1,2,4-triazol-1-yl)propoxy]benzoic acid
CID 55180313
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid
CID 43532474
2-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]benzoic acid
CID 43532400
2-ethoxybenzoic acid;zinc
CID 172723273
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-nonoxybenzoic acid;zinc
CID 70396181

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid (CID 138001967) is 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid is CN(C)S(=O)(=O)c1cnn(CCOc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid?
The InChIKey is PCUXQHKTDXZICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-16(2)23(20,21)11-9-15-17(10-11)7-8-22-13-6-4-3-5-12(13)14(18)19/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid?
2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid has a molecular weight of 339.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid is sourced from PubChem (CID 138001967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).