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

C10H9N5O2S — CID 82198322

IUPAC4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide
SMILESCc1c(C#N)nnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H9N5O2S/c1-7-10(6-11)13-14-15(7)8-2-4-9(5-3-8)18(12,16)17/h2-5H,1H3,(H2,12,16,17)
InChIKeyJQDQICBEBBROOL-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.09
Rot. Bonds2

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

4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide (PubChem CID 82198322) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide
PubChem CID82198322
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide
SMILESCc1c(C#N)nnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H9N5O2S/c1-7-10(6-11)13-14-15(7)8-2-4-9(5-3-8)18(12,16)17/h2-5H,1H3,(H2,12,16,17)
InChIKeyJQDQICBEBBROOL-UHFFFAOYSA-N
XLogP0.09
TPSA114.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.09
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-methyltriazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide (CID 82198322) is 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide is Cc1c(C#N)nnn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide?
The InChIKey is JQDQICBEBBROOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c1-7-10(6-11)13-14-15(7)8-2-4-9(5-3-8)18(12,16)17/h2-5H,1H3,(H2,12,16,17).
What are the key properties of 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide?
4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-5-methyltriazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 82198322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).