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

C23H25ClN2O2S — CID 71584050

IUPACN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25ClN2O2S/c1-3-25(4-2)21-14-10-19(11-15-21)18-26(22-16-12-20(24)13-17-22)29(27,28)23-8-6-5-7-9-23/h5-17H,3-4,18H2,1-2H3
InChIKeyLGCCDZDUQFDBDR-UHFFFAOYSA-N
MW428.99 g/mol
LogP5.58
Rot. Bonds8

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

N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide (PubChem CID 71584050) has the molecular formula C23H25ClN2O2S and a molecular weight of 428.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
PubChem CID71584050
Molecular FormulaC23H25ClN2O2S
Molecular Weight428.99 g/mol
Exact Mass428.13
IUPAC NameN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25ClN2O2S/c1-3-25(4-2)21-14-10-19(11-15-21)18-26(22-16-12-20(24)13-17-22)29(27,28)23-8-6-5-7-9-23/h5-17H,3-4,18H2,1-2H3
InChIKeyLGCCDZDUQFDBDR-UHFFFAOYSA-N
XLogP5.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.99
LogP ≤ 55.58
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide (CID 71584050) is N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide is CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The InChIKey is LGCCDZDUQFDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2S/c1-3-25(4-2)21-14-10-19(11-15-21)18-26(22-16-12-20(24)13-17-22)29(27,28)23-8-6-5-7-9-23/h5-17H,3-4,18H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide has a molecular weight of 428.99 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 71584050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).