5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine

C10H11ClN4O2S — CID 828743

IUPAC5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1N
InChIInChI=1S/C10H11ClN4O2S/c1-2-18(16,17)15-10(12)13-9(14-15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyCZIBZRUBEIUMRP-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.38
Rot. Bonds3

About 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine

5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine (PubChem CID 828743) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine
PubChem CID828743
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1N
InChIInChI=1S/C10H11ClN4O2S/c1-2-18(16,17)15-10(12)13-9(14-15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyCZIBZRUBEIUMRP-UHFFFAOYSA-N
XLogP1.38
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine (CID 828743) is 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine is CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1N.
What is the InChIKey of 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine?
The InChIKey is CZIBZRUBEIUMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-2-18(16,17)15-10(12)13-9(14-15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H2,12,13,14).
What are the key properties of 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine?
5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine has a molecular weight of 286.74 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-ethylsulfonyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 828743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).