4-cyano-N,3-dimethylbenzenesulfonamide

C9H10N2O2S — CID 106832880

IUPAC4-cyano-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C9H10N2O2S/c1-7-5-9(14(12,13)11-2)4-3-8(7)6-10/h3-5,11H,1-2H3
InChIKeyWIFHUYUTUVWXON-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.77
Rot. Bonds2

About 4-cyano-N,3-dimethylbenzenesulfonamide

4-cyano-N,3-dimethylbenzenesulfonamide (PubChem CID 106832880) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-cyano-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N,3-dimethylbenzenesulfonamide
PubChem CID106832880
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4-cyano-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C9H10N2O2S/c1-7-5-9(14(12,13)11-2)4-3-8(7)6-10/h3-5,11H,1-2H3
InChIKeyWIFHUYUTUVWXON-UHFFFAOYSA-N
XLogP0.77
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-3-fluoro-N-methylbenzenesulfonamide
CID 126776790
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
4-cyano-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919854
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-cyano-N,3-dimethylbenzenesulfonamide (CID 106832880) is 4-cyano-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N,3-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of 4-cyano-N,3-dimethylbenzenesulfonamide?
The InChIKey is WIFHUYUTUVWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-7-5-9(14(12,13)11-2)4-3-8(7)6-10/h3-5,11H,1-2H3.
What are the key properties of 4-cyano-N,3-dimethylbenzenesulfonamide?
4-cyano-N,3-dimethylbenzenesulfonamide has a molecular weight of 210.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106832880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).