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

C20H26N2O2S — CID 1309591

IUPACN-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNC2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-11-13-19(14-12-16)25(23,24)22-20-10-6-5-7-17(20)15-21-18-8-3-2-4-9-18/h5-7,10-14,18,21-22H,2-4,8-9,15H2,1H3
InChIKeyKLONVYFUMLYAJA-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.22
Rot. Bonds6

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

N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 1309591) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID1309591
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNC2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-11-13-19(14-12-16)25(23,24)22-20-10-6-5-7-17(20)15-21-18-8-3-2-4-9-18/h5-7,10-14,18,21-22H,2-4,8-9,15H2,1H3
InChIKeyKLONVYFUMLYAJA-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(cyclohexylamino)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

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]-
CID 66856
Metahexamide
CID 11259
p-Toluenesulfono-o-toluidide
CID 66457
N-Biphenyl-2-yl-4-methyl-benzenesulfonamide
CID 818647
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
4-((4-Benzylpiperidin-1-yl)sulfonyl)aniline
CID 2115228
4-cyclohexyl-N-(2-methylphenyl)benzenesulfonamide
CID 789353
4-(2-{[4-(Dimethylamino)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 4723880
4-ethyl-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide
CID 2747440
N-[4-(dimethylamino)phenyl]-4-methylbenzenesulfonamide
CID 519684

Frequently Asked Questions

What is the IUPAC name of N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide (CID 1309591) is N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2CNC2CCCCC2)cc1.
What is the InChIKey of N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KLONVYFUMLYAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-11-13-19(14-12-16)25(23,24)22-20-10-6-5-7-17(20)15-21-18-8-3-2-4-9-18/h5-7,10-14,18,21-22H,2-4,8-9,15H2,1H3.
What are the key properties of N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(cyclohexylamino)methyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1309591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).