N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide

C20H26N2O2S — CID 23604948

IUPACN-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(N(C)C2CCCCC2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-12-14-17(15-13-16)22(2)20-11-7-6-10-19(20)21-25(23,24)18-8-4-3-5-9-18/h3-5,8-9,12-15,19-21H,6-7,10-11H2,1-2H3
InChIKeyHGJVBFDVVIVVPC-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide

N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide (PubChem CID 23604948) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
PubChem CID23604948
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(N(C)C2CCCCC2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-12-14-17(15-13-16)22(2)20-11-7-6-10-19(20)21-25(23,24)18-8-4-3-5-9-18/h3-5,8-9,12-15,19-21H,6-7,10-11H2,1-2H3
InChIKeyHGJVBFDVVIVVPC-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 98467664
N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
CID 92701825
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
CID 101206913
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide
CID 23604974
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide (CID 23604948) is N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide is Cc1ccc(N(C)C2CCCCC2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
The InChIKey is HGJVBFDVVIVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-12-14-17(15-13-16)22(2)20-11-7-6-10-19(20)21-25(23,24)18-8-4-3-5-9-18/h3-5,8-9,12-15,19-21H,6-7,10-11H2,1-2H3.
What are the key properties of N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide?
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).