4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid

C12H14N4O4S — CID 43700019

IUPAC4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C12H14N4O4S/c17-12(18)2-1-9-21(19,20)15-10-3-5-11(6-4-10)16-13-7-8-14-16/h3-8,15H,1-2,9H2,(H,17,18)
InChIKeyJFZGSVYJUMXUPP-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.87
Rot. Bonds7

About 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid

4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid (PubChem CID 43700019) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
PubChem CID43700019
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C12H14N4O4S/c17-12(18)2-1-9-21(19,20)15-10-3-5-11(6-4-10)16-13-7-8-14-16/h3-8,15H,1-2,9H2,(H,17,18)
InChIKeyJFZGSVYJUMXUPP-UHFFFAOYSA-N
XLogP0.87
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid
CID 43700013
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
CID 43699767
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
CID 43715118
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
CID 43708063
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
4-[[2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]butanoic acid
CID 43711492
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
CID 63302413

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid (CID 43700019) is 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid?
The InChIKey is JFZGSVYJUMXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c17-12(18)2-1-9-21(19,20)15-10-3-5-11(6-4-10)16-13-7-8-14-16/h3-8,15H,1-2,9H2,(H,17,18).
What are the key properties of 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid?
4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid has a molecular weight of 310.33 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43700019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).