N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide

C20H26N2O3S — CID 23604885

IUPACN-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(NC2CCCCC2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-7-13-18(14-8-15)26(23,24)22-20-6-4-3-5-19(20)21-16-9-11-17(25-2)12-10-16/h7-14,19-22H,3-6H2,1-2H3
InChIKeyZDACPJHJKZDQJT-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide

N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 23604885) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
PubChem CID23604885
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(NC2CCCCC2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-7-13-18(14-8-15)26(23,24)22-20-6-4-3-5-19(20)21-16-9-11-17(25-2)12-10-16/h7-14,19-22H,3-6H2,1-2H3
InChIKeyZDACPJHJKZDQJT-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide (CID 23604885) is N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide is COc1ccc(NC2CCCCC2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is ZDACPJHJKZDQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-7-13-18(14-8-15)26(23,24)22-20-6-4-3-5-19(20)21-16-9-11-17(25-2)12-10-16/h7-14,19-22H,3-6H2,1-2H3.
What are the key properties of N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide?
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23604885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).