4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid

C13H15N3O4S — CID 43699767

IUPAC4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H15N3O4S/c17-13(18)6-2-9-21(19,20)15-11-4-1-5-12(10-11)16-8-3-7-14-16/h1,3-5,7-8,10,15H,2,6,9H2,(H,17,18)
InChIKeyVQUBRKMWGLPBQB-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.48
Rot. Bonds7

About 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid

4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid (PubChem CID 43699767) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
PubChem CID43699767
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H15N3O4S/c17-13(18)6-2-9-21(19,20)15-11-4-1-5-12(10-11)16-8-3-7-14-16/h1,3-5,7-8,10,15H,2,6,9H2,(H,17,18)
InChIKeyVQUBRKMWGLPBQB-UHFFFAOYSA-N
XLogP1.48
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
CID 43700019
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815573
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid (CID 43699767) is 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid?
The InChIKey is VQUBRKMWGLPBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-13(18)6-2-9-21(19,20)15-11-4-1-5-12(10-11)16-8-3-7-14-16/h1,3-5,7-8,10,15H,2,6,9H2,(H,17,18).
What are the key properties of 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid?
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid has a molecular weight of 309.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43699767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).