4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide

C21H27ClN2O3S — CID 23604974

IUPAC4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(N(C)C2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-3-27-18-12-10-17(11-13-18)24(2)21-7-5-4-6-20(21)23-28(25,26)19-14-8-16(22)9-15-19/h8-15,20-21,23H,3-7H2,1-2H3
InChIKeyFGOPNBYTPYPUTN-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.46
Rot. Bonds7

About 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide

4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide (PubChem CID 23604974) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide
PubChem CID23604974
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(N(C)C2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-3-27-18-12-10-17(11-13-18)24(2)21-7-5-4-6-20(21)23-28(25,26)19-14-8-16(22)9-15-19/h8-15,20-21,23H,3-7H2,1-2H3
InChIKeyFGOPNBYTPYPUTN-UHFFFAOYSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.46
H-Bond Donors ≤ 51
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-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 98467664
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
CID 124772278
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
CID 4297774
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
CID 6972183
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide (CID 23604974) is 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide is CCOc1ccc(N(C)C2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide?
The InChIKey is FGOPNBYTPYPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-3-27-18-12-10-17(11-13-18)24(2)21-7-5-4-6-20(21)23-28(25,26)19-14-8-16(22)9-15-19/h8-15,20-21,23H,3-7H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide has a molecular weight of 422.98 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).