3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide

C20H17Cl2NO4S2 — CID 11978291

IUPAC3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17Cl2NO4S2/c21-19-10-9-15(13-20(19)22)11-12-23-29(26,27)18-8-4-7-17(14-18)28(24,25)16-5-2-1-3-6-16/h1-10,13-14,23H,11-12H2
InChIKeyBJONKTLGPQLOAQ-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.35
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide

3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide (PubChem CID 11978291) has the molecular formula C20H17Cl2NO4S2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
PubChem CID11978291
Molecular FormulaC20H17Cl2NO4S2
Molecular Weight470.40 g/mol
Exact Mass469.00
IUPAC Name3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17Cl2NO4S2/c21-19-10-9-15(13-20(19)22)11-12-23-29(26,27)18-8-4-7-17(14-18)28(24,25)16-5-2-1-3-6-16/h1-10,13-14,23H,11-12H2
InChIKeyBJONKTLGPQLOAQ-UHFFFAOYSA-N
XLogP4.35
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]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-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
3-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 11978172
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
3,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 43008790
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 3807874
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
CID 90129375
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide (CID 11978291) is 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is BJONKTLGPQLOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4S2/c21-19-10-9-15(13-20(19)22)11-12-23-29(26,27)18-8-4-7-17(14-18)28(24,25)16-5-2-1-3-6-16/h1-10,13-14,23H,11-12H2.
What are the key properties of 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 470.40 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 11978291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).