3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

C16H16N2O3S — CID 9317045

IUPAC3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H16N2O3S/c1-18(12-14-7-3-4-9-16(14)21-2)22(19,20)15-8-5-6-13(10-15)11-17/h3-10H,12H2,1-2H3
InChIKeyDUCKYFIAUSXLMS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.39
Rot. Bonds5

About 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 9317045) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID9317045
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H16N2O3S/c1-18(12-14-7-3-4-9-16(14)21-2)22(19,20)15-8-5-6-13(10-15)11-17/h3-10H,12H2,1-2H3
InChIKeyDUCKYFIAUSXLMS-UHFFFAOYSA-N
XLogP2.39
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 29352136
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384532
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
2-[(3-cyanophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86931089
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 9317045) is 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is COc1ccccc1CN(C)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is DUCKYFIAUSXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-18(12-14-7-3-4-9-16(14)21-2)22(19,20)15-8-5-6-13(10-15)11-17/h3-10H,12H2,1-2H3.
What are the key properties of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 9317045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).