3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide

C15H16Cl2N2O2S — CID 3822716

IUPAC3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-19(2)14-5-3-11(4-6-14)10-18-22(20,21)15-8-12(16)7-13(17)9-15/h3-9,18H,10H2,1-2H3
InChIKeyXTAHSDDTDWCPJE-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.54
Rot. Bonds5

About 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide

3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide (PubChem CID 3822716) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
PubChem CID3822716
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC Name3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-19(2)14-5-3-11(4-6-14)10-18-22(20,21)15-8-12(16)7-13(17)9-15/h3-9,18H,10H2,1-2H3
InChIKeyXTAHSDDTDWCPJE-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
CID 4657753
3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 35616347
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548598
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
N-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
4,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 3794260
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9031927
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692415

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide (CID 3822716) is 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide?
The InChIKey is XTAHSDDTDWCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-19(2)14-5-3-11(4-6-14)10-18-22(20,21)15-8-12(16)7-13(17)9-15/h3-9,18H,10H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide?
3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide has a molecular weight of 359.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3822716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).