4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide

C22H20Cl2N2O3S2 — CID 46762901

IUPAC4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H20Cl2N2O3S2/c23-20-9-5-4-6-16(20)15-30-13-12-25-22(27)19-11-10-17(14-21(19)24)26-31(28,29)18-7-2-1-3-8-18/h1-11,14,26H,12-13,15H2,(H,25,27)
InChIKeyQNYDZDJJCOLAIW-UHFFFAOYSA-N
MW495.45 g/mol
LogP5.46
Rot. Bonds9

About 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 46762901) has the molecular formula C22H20Cl2N2O3S2 and a molecular weight of 495.45 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
PubChem CID46762901
Molecular FormulaC22H20Cl2N2O3S2
Molecular Weight495.45 g/mol
Exact Mass494.03
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H20Cl2N2O3S2/c23-20-9-5-4-6-16(20)15-30-13-12-25-22(27)19-11-10-17(14-21(19)24)26-31(28,29)18-7-2-1-3-8-18/h1-11,14,26H,12-13,15H2,(H,25,27)
InChIKeyQNYDZDJJCOLAIW-UHFFFAOYSA-N
XLogP5.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.45
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
CID 30400846
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28631759
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30398696
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2279724
4-(benzenesulfonamido)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 39548091
5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
CID 38014027
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 28590197
4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46772538

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide (CID 46762901) is 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide is O=C(NCCSCc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is QNYDZDJJCOLAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S2/c23-20-9-5-4-6-16(20)15-30-13-12-25-22(27)19-11-10-17(14-21(19)24)26-31(28,29)18-7-2-1-3-8-18/h1-11,14,26H,12-13,15H2,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 495.45 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 46762901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).