5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide

C23H17Cl2N3O3S — CID 22646297

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-n1cccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O3S/c24-16-7-10-18(11-8-16)32(30,31)27-20-12-9-17(25)15-19(20)23(29)26-21-5-1-2-6-22(21)28-13-3-4-14-28/h1-15,27H,(H,26,29)
InChIKeyBKIDTQBWTFOEIZ-UHFFFAOYSA-N
MW486.38 g/mol
LogP5.84
Rot. Bonds6

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide (PubChem CID 22646297) has the molecular formula C23H17Cl2N3O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide
PubChem CID22646297
Molecular FormulaC23H17Cl2N3O3S
Molecular Weight486.38 g/mol
Exact Mass485.04
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-n1cccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O3S/c24-16-7-10-18(11-8-16)32(30,31)27-20-12-9-17(25)15-19(20)23(29)26-21-5-1-2-6-22(21)28-13-3-4-14-28/h1-15,27H,(H,26,29)
InChIKeyBKIDTQBWTFOEIZ-UHFFFAOYSA-N
XLogP5.84
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.38
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-phenyl-3-sulfanylphenyl)benzamide
CID 22495835
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
CID 22646331
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-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide (CID 22646297) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide is O=C(Nc1ccccc1-n1cccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide?
The InChIKey is BKIDTQBWTFOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3S/c24-16-7-10-18(11-8-16)32(30,31)27-20-12-9-17(25)15-19(20)23(29)26-21-5-1-2-6-22(21)28-13-3-4-14-28/h1-15,27H,(H,26,29).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide has a molecular weight of 486.38 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 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-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 22646297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).