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

C23H24ClFN2O2S — CID 71584155

IUPACN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H24ClFN2O2S/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
InChIKeyGRJVQDCAARFQCO-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.72
Rot. Bonds8

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

N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 71584155) has the molecular formula C23H24ClFN2O2S and a molecular weight of 446.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
PubChem CID71584155
Molecular FormulaC23H24ClFN2O2S
Molecular Weight446.98 g/mol
Exact Mass446.12
IUPAC NameN-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H24ClFN2O2S/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
InChIKeyGRJVQDCAARFQCO-UHFFFAOYSA-N
XLogP5.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.72
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]-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide (CID 71584155) is N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide is CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is GRJVQDCAARFQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2S/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 N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide?
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 446.98 g/mol, XLogP of 5.72, 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]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71584155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).