2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide

C16H16N2O3S — CID 110777228

IUPAC2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1OC
InChIInChI=1S/C16H16N2O3S/c1-3-12-10-14(8-9-15(12)21-2)18-22(19,20)16-7-5-4-6-13(16)11-17/h4-10,18H,3H2,1-2H3
InChIKeyYXUWUYJKXOZFCB-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.93
Rot. Bonds5

About 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide

2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide (PubChem CID 110777228) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
PubChem CID110777228
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1OC
InChIInChI=1S/C16H16N2O3S/c1-3-12-10-14(8-9-15(12)21-2)18-22(19,20)16-7-5-4-6-13(16)11-17/h4-10,18H,3H2,1-2H3
InChIKeyYXUWUYJKXOZFCB-UHFFFAOYSA-N
XLogP2.93
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
2-(3-ethyl-4-methoxyanilino)acetonitrile
CID 115130737
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 110780652
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
CID 110777916
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
N-(4-acetylphenyl)-2-cyanobenzenesulfonamide
CID 40655133
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide (CID 110777228) is 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1OC.
What is the InChIKey of 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is YXUWUYJKXOZFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-12-10-14(8-9-15(12)21-2)18-22(19,20)16-7-5-4-6-13(16)11-17/h4-10,18H,3H2,1-2H3.
What are the key properties of 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide?
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 110777228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).