N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide

C26H30N2O2S — CID 2175745

IUPACN-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-20-11-17-25(18-12-20)31(29,30)28-26-10-6-5-9-23(26)19-27-24-15-13-22(14-16-24)21-7-3-2-4-8-21/h5-6,9-18,21,27-28H,2-4,7-8,19H2,1H3
InChIKeyRKYKYYQBKNJOHY-UHFFFAOYSA-N
MW434.61 g/mol
LogP6.46
Rot. Bonds7

About N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide

N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 2175745) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID2175745
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-20-11-17-25(18-12-20)31(29,30)28-26-10-6-5-9-23(26)19-27-24-15-13-22(14-16-24)21-7-3-2-4-8-21/h5-6,9-18,21,27-28H,2-4,7-8,19H2,1H3
InChIKeyRKYKYYQBKNJOHY-UHFFFAOYSA-N
XLogP6.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-cyclohexylanilino)methyl]phenyl]-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

1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
CID 68950031
2-[(4-cyclohexylanilino)methyl]-6-methylphenol
CID 122182722
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689
5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519759
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
CID 95781125
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[(2-cyclopropylphenyl)methyl]-4-methylsulfonylaniline
CID 79969795

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide (CID 2175745) is N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is RKYKYYQBKNJOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-20-11-17-25(18-12-20)31(29,30)28-26-10-6-5-9-23(26)19-27-24-15-13-22(14-16-24)21-7-3-2-4-8-21/h5-6,9-18,21,27-28H,2-4,7-8,19H2,1H3.
What are the key properties of N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 434.61 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2175745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).