4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide

C11H11N5O2S — CID 82198325

IUPAC4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide
SMILESCCc1c(C#N)nnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H11N5O2S/c1-2-11-10(7-12)14-15-16(11)8-3-5-9(6-4-8)19(13,17)18/h3-6H,2H2,1H3,(H2,13,17,18)
InChIKeyWSQNXHMOMPDSJJ-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.35
Rot. Bonds3

About 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide

4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide (PubChem CID 82198325) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide
PubChem CID82198325
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide
SMILESCCc1c(C#N)nnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H11N5O2S/c1-2-11-10(7-12)14-15-16(11)8-3-5-9(6-4-8)19(13,17)18/h3-6H,2H2,1H3,(H2,13,17,18)
InChIKeyWSQNXHMOMPDSJJ-UHFFFAOYSA-N
XLogP0.35
TPSA114.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide (CID 82198325) is 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide is CCc1c(C#N)nnn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide?
The InChIKey is WSQNXHMOMPDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-2-11-10(7-12)14-15-16(11)8-3-5-9(6-4-8)19(13,17)18/h3-6H,2H2,1H3,(H2,13,17,18).
What are the key properties of 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide?
4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-5-ethyltriazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 82198325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).