2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C8H6Cl2N4O2S — CID 589498

IUPAC2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2N4O2S/c9-6-1-2-7(10)8(3-6)17(15,16)13-14-4-11-12-5-14/h1-5,13H
InChIKeyLSAIKWWDUKCEAW-UHFFFAOYSA-N
MW293.14 g/mol
LogP1.52
Rot. Bonds3

About 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 589498) has the molecular formula C8H6Cl2N4O2S and a molecular weight of 293.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID589498
Molecular FormulaC8H6Cl2N4O2S
Molecular Weight293.14 g/mol
Exact Mass291.96
IUPAC Name2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2N4O2S/c9-6-1-2-7(10)8(3-6)17(15,16)13-14-4-11-12-5-14/h1-5,13H
InChIKeyLSAIKWWDUKCEAW-UHFFFAOYSA-N
XLogP1.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 589498) is 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is O=S(=O)(Nn1cnnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is LSAIKWWDUKCEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4O2S/c9-6-1-2-7(10)8(3-6)17(15,16)13-14-4-11-12-5-14/h1-5,13H.
What are the key properties of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 293.14 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 589498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).