4-cyano-2-methoxy-5-methylbenzenesulfonamide

C9H10N2O3S — CID 171026986

IUPAC4-cyano-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1cc(C#N)c(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-6-3-9(15(11,12)13)8(14-2)4-7(6)5-10/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyFQDXSCSOMLMXKD-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.52
Rot. Bonds2

About 4-cyano-2-methoxy-5-methylbenzenesulfonamide

4-cyano-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 171026986) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-cyano-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methoxy-5-methylbenzenesulfonamide
PubChem CID171026986
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name4-cyano-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1cc(C#N)c(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-6-3-9(15(11,12)13)8(14-2)4-7(6)5-10/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyFQDXSCSOMLMXKD-UHFFFAOYSA-N
XLogP0.52
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
methyl 2-cyano-4-methyl-5-sulfamoylbenzoate
CID 18937228
4-(chloromethyl)-5-methoxy-2-methylbenzonitrile
CID 171020937
2-(2-methoxy-4,5-dimethylphenyl)sulfonylacetonitrile
CID 28753057
4-bromo-5-cyano-2-methoxybenzenesulfonyl chloride
CID 118845593
4-cyano-5-iodo-2-methoxybenzenesulfonyl chloride
CID 118828012
2,4,5-trimethylbenzenesulfonamide
CID 961422
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
(4-methoxy-2,5-dimethylphenyl)sulfonylformonitrile
CID 117036989

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-2-methoxy-5-methylbenzenesulfonamide (CID 171026986) is 4-cyano-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-2-methoxy-5-methylbenzenesulfonamide is COc1cc(C#N)c(C)cc1S(N)(=O)=O.
What is the InChIKey of 4-cyano-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is FQDXSCSOMLMXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-6-3-9(15(11,12)13)8(14-2)4-7(6)5-10/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of 4-cyano-2-methoxy-5-methylbenzenesulfonamide?
4-cyano-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 226.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 171026986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).