2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide

C18H20N2O3S — CID 110781168

IUPAC2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide
SMILESCC(C)COc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C18H20N2O3S/c1-14(2)13-23-17-9-7-15(8-10-17)12-20-24(21,22)18-6-4-3-5-16(18)11-19/h3-10,14,20H,12-13H2,1-2H3
InChIKeyCGKIPQUBMGVWMP-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.07
Rot. Bonds7

About 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide

2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 110781168) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide
PubChem CID110781168
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide
SMILESCC(C)COc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C18H20N2O3S/c1-14(2)13-23-17-9-7-15(8-10-17)12-20-24(21,22)18-6-4-3-5-16(18)11-19/h3-10,14,20H,12-13H2,1-2H3
InChIKeyCGKIPQUBMGVWMP-UHFFFAOYSA-N
XLogP3.07
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide 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

2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
N-[[4-(2-methylpropoxy)phenyl]methyl]ethanesulfonamide
CID 47372852
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653682
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide
CID 110785573
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
2-[(2-cyanophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 9410662

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide (CID 110781168) is 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide is CC(C)COc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1.
What is the InChIKey of 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is CGKIPQUBMGVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14(2)13-23-17-9-7-15(8-10-17)12-20-24(21,22)18-6-4-3-5-16(18)11-19/h3-10,14,20H,12-13H2,1-2H3.
What are the key properties of 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide?
2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 110781168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).