4-(4-cyanophenoxy)-2-methylbenzenesulfonamide

C14H12N2O3S — CID 43436544

IUPAC4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H12N2O3S/c1-10-8-13(6-7-14(10)20(16,17)18)19-12-4-2-11(9-15)3-5-12/h2-8H,1H3,(H2,16,17,18)
InChIKeySRYXYMDSUFWCQU-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.31
Rot. Bonds3

About 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide

4-(4-cyanophenoxy)-2-methylbenzenesulfonamide (PubChem CID 43436544) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
PubChem CID43436544
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H12N2O3S/c1-10-8-13(6-7-14(10)20(16,17)18)19-12-4-2-11(9-15)3-5-12/h2-8H,1H3,(H2,16,17,18)
InChIKeySRYXYMDSUFWCQU-UHFFFAOYSA-N
XLogP2.31
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
4-(4-cyanobutoxy)-2-methylbenzenesulfonamide
CID 82914658
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
CID 63985143
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate
CID 25434917
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123
4-[3-amino-5-(4-methylphenoxy)phenoxy]benzonitrile
CID 90871272
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide (CID 43436544) is 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide is Cc1cc(Oc2ccc(C#N)cc2)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide?
The InChIKey is SRYXYMDSUFWCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-10-8-13(6-7-14(10)20(16,17)18)19-12-4-2-11(9-15)3-5-12/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide?
4-(4-cyanophenoxy)-2-methylbenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenoxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43436544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).