5-cyano-2-methylbenzenesulfonamide

C8H8N2O2S — CID 54593546

IUPAC5-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(N)(=O)=O
InChIInChI=1S/C8H8N2O2S/c1-6-2-3-7(5-9)4-8(6)13(10,11)12/h2-4H,1H3,(H2,10,11,12)
InChIKeyIAHUULOIHAFWOM-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.51
Rot. Bonds1

About 5-cyano-2-methylbenzenesulfonamide

5-cyano-2-methylbenzenesulfonamide (PubChem CID 54593546) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methylbenzenesulfonamide
PubChem CID54593546
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name5-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(N)(=O)=O
InChIInChI=1S/C8H8N2O2S/c1-6-2-3-7(5-9)4-8(6)13(10,11)12/h2-4H,1H3,(H2,10,11,12)
InChIKeyIAHUULOIHAFWOM-UHFFFAOYSA-N
XLogP0.51
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-2-methylbenzenesulfonamide (CID 54593546) is 5-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-2-methylbenzenesulfonamide is Cc1ccc(C#N)cc1S(N)(=O)=O.
What is the InChIKey of 5-cyano-2-methylbenzenesulfonamide?
The InChIKey is IAHUULOIHAFWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-6-2-3-7(5-9)4-8(6)13(10,11)12/h2-4H,1H3,(H2,10,11,12).
What are the key properties of 5-cyano-2-methylbenzenesulfonamide?
5-cyano-2-methylbenzenesulfonamide has a molecular weight of 196.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 54593546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).