N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide

C22H24N2O2S — CID 20654617

IUPACN,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-3-23(4-2)27(25,26)22-17-15-21(16-18-22)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3
InChIKeyCJNLWVLKVFKTNY-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.19
Rot. Bonds7

About N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide

N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide (PubChem CID 20654617) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
PubChem CID20654617
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-3-23(4-2)27(25,26)22-17-15-21(16-18-22)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3
InChIKeyCJNLWVLKVFKTNY-UHFFFAOYSA-N
XLogP5.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide (CID 20654617) is N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide?
The InChIKey is CJNLWVLKVFKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-3-23(4-2)27(25,26)22-17-15-21(16-18-22)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide?
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide is sourced from PubChem (CID 20654617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).