2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide

C10H10Cl2N4O2S — CID 107650644

IUPAC2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C10H10Cl2N4O2S/c11-3-4-19(17,18)15-9-5-8(12)1-2-10(9)16-7-13-6-14-16/h1-2,5-7,15H,3-4H2
InChIKeyPVKCQTWTUPNWIZ-UHFFFAOYSA-N
MW321.19 g/mol
LogP1.90
Rot. Bonds5

About 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide

2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide (PubChem CID 107650644) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide
PubChem CID107650644
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC Name2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C10H10Cl2N4O2S/c11-3-4-19(17,18)15-9-5-8(12)1-2-10(9)16-7-13-6-14-16/h1-2,5-7,15H,3-4H2
InChIKeyPVKCQTWTUPNWIZ-UHFFFAOYSA-N
XLogP1.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide
CID 9184424
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
CID 43228690
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823497
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 18197740
N-benzyl-5-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43231355
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
CID 16549214
2-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 62855749
5-chloro-N-(1H-pyrrol-3-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 66410465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide (CID 107650644) is 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide is O=S(=O)(CCCl)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide?
The InChIKey is PVKCQTWTUPNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/c11-3-4-19(17,18)15-9-5-8(12)1-2-10(9)16-7-13-6-14-16/h1-2,5-7,15H,3-4H2.
What are the key properties of 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide?
2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide has a molecular weight of 321.19 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 107650644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).