N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide

C20H15Cl2NO3S2 — CID 22782755

IUPACN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
SMILESO=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2NO3S2/c21-18-11-6-14(12-19(18)22)20(24)13-27-16-9-7-15(8-10-16)23-28(25,26)17-4-2-1-3-5-17/h1-12,23H,13H2
InChIKeyCCVPZSUVZZKRPM-UHFFFAOYSA-N
MW452.38 g/mol
LogP5.77
Rot. Bonds7

About N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide

N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide (PubChem CID 22782755) has the molecular formula C20H15Cl2NO3S2 and a molecular weight of 452.38 g/mol. Its IUPAC name is N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
PubChem CID22782755
Molecular FormulaC20H15Cl2NO3S2
Molecular Weight452.38 g/mol
Exact Mass450.99
IUPAC NameN-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
SMILESO=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2NO3S2/c21-18-11-6-14(12-19(18)22)20(24)13-27-16-9-7-15(8-10-16)23-28(25,26)17-4-2-1-3-5-17/h1-12,23H,13H2
InChIKeyCCVPZSUVZZKRPM-UHFFFAOYSA-N
XLogP5.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.38
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]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-(4-phenacylsulfanylphenyl)benzenesulfonamide
CID 19629665
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 23096843
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23098450
N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22778694
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 19631448
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide (CID 22782755) is N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide is O=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
The InChIKey is CCVPZSUVZZKRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO3S2/c21-18-11-6-14(12-19(18)22)20(24)13-27-16-9-7-15(8-10-16)23-28(25,26)17-4-2-1-3-5-17/h1-12,23H,13H2.
What are the key properties of N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide?
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide has a molecular weight of 452.38 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide is sourced from PubChem (CID 22782755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).