2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide

C15H14N2O3S — CID 62004336

IUPAC2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccccc2C#N)c1
InChIInChI=1S/C15H14N2O3S/c1-17(13-7-5-8-14(10-13)20-2)21(18,19)15-9-4-3-6-12(15)11-16/h3-10H,1-2H3
InChIKeyQCNMNDANAQKEAJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.39
Rot. Bonds4

About 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide

2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 62004336) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID62004336
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccccc2C#N)c1
InChIInChI=1S/C15H14N2O3S/c1-17(13-7-5-8-14(10-13)20-2)21(18,19)15-9-4-3-6-12(15)11-16/h3-10H,1-2H3
InChIKeyQCNMNDANAQKEAJ-UHFFFAOYSA-N
XLogP2.39
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
2-cyano-N-[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 51932935
2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
CID 62002258
N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
CID 61359217
N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 62969702
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide (CID 62004336) is 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide is COc1cccc(N(C)S(=O)(=O)c2ccccc2C#N)c1.
What is the InChIKey of 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is QCNMNDANAQKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-17(13-7-5-8-14(10-13)20-2)21(18,19)15-9-4-3-6-12(15)11-16/h3-10H,1-2H3.
What are the key properties of 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62004336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).