2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid

C11H11ClN4O4S — CID 107090248

IUPAC2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCn2ccnn2)cc1Cl
InChIInChI=1S/C11H11ClN4O4S/c12-10-7-8(1-2-9(10)11(17)18)21(19,20)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2,(H,17,18)
InChIKeyWMRWBTOJSBUDMJ-UHFFFAOYSA-N
MW330.75 g/mol
LogP0.61
Rot. Bonds6

About 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid

2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid (PubChem CID 107090248) has the molecular formula C11H11ClN4O4S and a molecular weight of 330.75 g/mol. Its IUPAC name is 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
PubChem CID107090248
Molecular FormulaC11H11ClN4O4S
Molecular Weight330.75 g/mol
Exact Mass330.02
IUPAC Name2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCn2ccnn2)cc1Cl
InChIInChI=1S/C11H11ClN4O4S/c12-10-7-8(1-2-9(10)11(17)18)21(19,20)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2,(H,17,18)
InChIKeyWMRWBTOJSBUDMJ-UHFFFAOYSA-N
XLogP0.61
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 107089953
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
2-chloro-4-(2-ethylsulfinylethylsulfamoyl)benzoic acid
CID 107090287
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
2-chloro-4-(3-methylsulfanylpropylsulfamoyl)benzoic acid
CID 107090098
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463014
2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid
CID 104654540
5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 114135368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid (CID 107090248) is 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCCn2ccnn2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is WMRWBTOJSBUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O4S/c12-10-7-8(1-2-9(10)11(17)18)21(19,20)14-4-6-16-5-3-13-15-16/h1-3,5,7,14H,4,6H2,(H,17,18).
What are the key properties of 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid?
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 330.75 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 107090248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).