N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide

C24H34N2O3S — CID 71624303

IUPACN-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H34N2O3S/c1-4-25(5-2)21-13-11-20(12-14-21)19-26(22-9-7-6-8-10-22)30(27,28)24-17-15-23(29-3)16-18-24/h11-18,22H,4-10,19H2,1-3H3
InChIKeyZAWKJKUJHNYFAU-UHFFFAOYSA-N
MW430.61 g/mol
LogP5.07
Rot. Bonds9

About N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide

N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 71624303) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
PubChem CID71624303
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H34N2O3S/c1-4-25(5-2)21-13-11-20(12-14-21)19-26(22-9-7-6-8-10-22)30(27,28)24-17-15-23(29-3)16-18-24/h11-18,22H,4-10,19H2,1-3H3
InChIKeyZAWKJKUJHNYFAU-UHFFFAOYSA-N
XLogP5.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
Pnu-177864
CID 9887351
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
1-(2,3-Dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147613
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 1262214
N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycine
CID 802604
4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42635027

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide (CID 71624303) is N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide is CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is ZAWKJKUJHNYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-4-25(5-2)21-13-11-20(12-14-21)19-26(22-9-7-6-8-10-22)30(27,28)24-17-15-23(29-3)16-18-24/h11-18,22H,4-10,19H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide?
N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 430.61 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71624303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).