4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide

C23H24Cl2N2O2S — CID 71584156

IUPAC4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24Cl2N2O2S/c1-3-26(4-2)21-11-5-18(6-12-21)17-27(22-13-7-19(24)8-14-22)30(28,29)23-15-9-20(25)10-16-23/h5-16H,3-4,17H2,1-2H3
InChIKeyUCDUZZSIFKDOFO-UHFFFAOYSA-N
MW463.43 g/mol
LogP6.24
Rot. Bonds8

About 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide

4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide (PubChem CID 71584156) has the molecular formula C23H24Cl2N2O2S and a molecular weight of 463.43 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
PubChem CID71584156
Molecular FormulaC23H24Cl2N2O2S
Molecular Weight463.43 g/mol
Exact Mass462.09
IUPAC Name4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24Cl2N2O2S/c1-3-26(4-2)21-11-5-18(6-12-21)17-27(22-13-7-19(24)8-14-22)30(28,29)23-15-9-20(25)10-16-23/h5-16H,3-4,17H2,1-2H3
InChIKeyUCDUZZSIFKDOFO-UHFFFAOYSA-N
XLogP6.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
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

N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenyl-piperazin-1-yl)-butyl]-N-methyl-benzenesulfonamide
CID 5481727
Arylsulfonylpiperazine, 34
CID 19682724
N-(1-adamantyl)-4-chloro-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71583610
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71584050
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 71584155
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71584158
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-3-methylbenzenesulfonamide
CID 71584159
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 71584160
N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584277
N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 71584278
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 71584410

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide (CID 71584156) is 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide is CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The InChIKey is UCDUZZSIFKDOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O2S/c1-3-26(4-2)21-11-5-18(6-12-21)17-27(22-13-7-19(24)8-14-22)30(28,29)23-15-9-20(25)10-16-23/h5-16H,3-4,17H2,1-2H3.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide has a molecular weight of 463.43 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 71584156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).