2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide

C17H13Cl2NO2S2 — CID 24678420

IUPAC2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2NO2S2/c18-13-8-4-9-14(19)17(13)24(21,22)20-16(15-10-5-11-23-15)12-6-2-1-3-7-12/h1-11,16,20H
InChIKeyDEPSOUHBUDRJOQ-UHFFFAOYSA-N
MW398.34 g/mol
LogP5.12
Rot. Bonds5

About 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide

2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 24678420) has the molecular formula C17H13Cl2NO2S2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
PubChem CID24678420
Molecular FormulaC17H13Cl2NO2S2
Molecular Weight398.34 g/mol
Exact Mass396.98
IUPAC Name2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2NO2S2/c18-13-8-4-9-14(19)17(13)24(21,22)20-16(15-10-5-11-23-15)12-6-2-1-3-7-12/h1-11,16,20H
InChIKeyDEPSOUHBUDRJOQ-UHFFFAOYSA-N
XLogP5.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dichloro-N-[phenyl(thiophen-2-yl)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

N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 18279348
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
ethyl 4-[[(S)-phenyl(thiophen-2-yl)methyl]sulfamoyl]benzoate
CID 8816031
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001330
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43021402
1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide
CID 63665118
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide (CID 24678420) is 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1cccs1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is DEPSOUHBUDRJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S2/c18-13-8-4-9-14(19)17(13)24(21,22)20-16(15-10-5-11-23-15)12-6-2-1-3-7-12/h1-11,16,20H.
What are the key properties of 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 398.34 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 24678420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).