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

C10H10N4O4S — CID 43700013

IUPAC2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C10H10N4O4S/c15-10(16)7-19(17,18)13-8-1-3-9(4-2-8)14-11-5-6-12-14/h1-6,13H,7H2,(H,15,16)
InChIKeyPSRCBXNAYFJSBO-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.09
Rot. Bonds5

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

2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid (PubChem CID 43700013) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid
PubChem CID43700013
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C10H10N4O4S/c15-10(16)7-19(17,18)13-8-1-3-9(4-2-8)14-11-5-6-12-14/h1-6,13H,7H2,(H,15,16)
InChIKeyPSRCBXNAYFJSBO-UHFFFAOYSA-N
XLogP0.09
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
CID 43700019
2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 60934231
2-[(4-acetamidophenyl)sulfamoyl]acetic acid
CID 28774285
(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
2-[[4-(1,3-oxazol-5-yl)phenyl]sulfamoyl]acetic acid
CID 55025378
(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
CID 103795568
2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid
CID 43361897
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
CID 43361980
1-tert-butyl-3-[4-(triazol-2-yl)phenyl]urea
CID 78896659

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid (CID 43700013) is 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid?
The InChIKey is PSRCBXNAYFJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c15-10(16)7-19(17,18)13-8-1-3-9(4-2-8)14-11-5-6-12-14/h1-6,13H,7H2,(H,15,16).
What are the key properties of 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid?
2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid has a molecular weight of 282.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43700013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).