N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C16H16N2O3S — CID 71417579

IUPACN-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(C(C#N)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H16N2O3S/c1-12-6-8-15(9-7-12)22(19,20)18-16(11-17)13-4-3-5-14(10-13)21-2/h3-10,16,18H,1-2H3
InChIKeyODCPCJJPZUAPNX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.55
Rot. Bonds5

About N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 71417579) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID71417579
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(C(C#N)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H16N2O3S/c1-12-6-8-15(9-7-12)22(19,20)18-16(11-17)13-4-3-5-14(10-13)21-2/h3-10,16,18H,1-2H3
InChIKeyODCPCJJPZUAPNX-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyano-(4-methylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 110664230
N-[cyano-(4-methylphenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 110664237
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
N-[cyano-(4-nitrophenyl)methyl]-4-methylbenzenesulfonamide
CID 44521252
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[cyano-(2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 135070993
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
3-acetyl-N-[cyano-(4-methylphenyl)methyl]benzenesulfonamide
CID 110664264
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
methyl 2-[[cyano-(3-methoxyphenyl)methyl]amino]acetate
CID 112500761
[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 170922892

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 71417579) is N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1cccc(C(C#N)NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is ODCPCJJPZUAPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-12-6-8-15(9-7-12)22(19,20)18-16(11-17)13-4-3-5-14(10-13)21-2/h3-10,16,18H,1-2H3.
What are the key properties of N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71417579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).