5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide

C25H18Cl2N2O3S2 — CID 22495835

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide
SMILESO=C(Nc1cccc(S)c1-c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N2O3S2/c26-17-9-12-19(13-10-17)34(31,32)29-21-14-11-18(27)15-20(21)25(30)28-22-7-4-8-23(33)24(22)16-5-2-1-3-6-16/h1-15,29,33H,(H,28,30)
InChIKeyLAFAMYPLZQJQGC-UHFFFAOYSA-N
MW529.47 g/mol
LogP7.00
Rot. Bonds6

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide (PubChem CID 22495835) has the molecular formula C25H18Cl2N2O3S2 and a molecular weight of 529.47 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide
PubChem CID22495835
Molecular FormulaC25H18Cl2N2O3S2
Molecular Weight529.47 g/mol
Exact Mass528.01
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide
SMILESO=C(Nc1cccc(S)c1-c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N2O3S2/c26-17-9-12-19(13-10-17)34(31,32)29-21-14-11-18(27)15-20(21)25(30)28-22-7-4-8-23(33)24(22)16-5-2-1-3-6-16/h1-15,29,33H,(H,28,30)
InChIKeyLAFAMYPLZQJQGC-UHFFFAOYSA-N
XLogP7.00
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.47
LogP ≤ 57.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 54471115
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide
CID 22646297
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)sulfonylamino]benzamide
CID 158200671
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
CID 22646331

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide (CID 22495835) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide is O=C(Nc1cccc(S)c1-c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide?
The InChIKey is LAFAMYPLZQJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O3S2/c26-17-9-12-19(13-10-17)34(31,32)29-21-14-11-18(27)15-20(21)25(30)28-22-7-4-8-23(33)24(22)16-5-2-1-3-6-16/h1-15,29,33H,(H,28,30).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide has a molecular weight of 529.47 g/mol, XLogP of 7.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenyl-3-sulfanylphenyl)benzamide is sourced from PubChem (CID 22495835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).