5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide

C19H11Cl2F3N2O3S — CID 22646340

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl2F3N2O3S/c20-10-1-4-13(5-2-10)30(28,29)26-17-6-3-11(21)7-14(17)19(27)25-12-8-15(22)18(24)16(23)9-12/h1-9,26H,(H,25,27)
InChIKeyMXSGHVZEEDWWRH-UHFFFAOYSA-N
MW475.28 g/mol
LogP5.46
Rot. Bonds5

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 22646340) has the molecular formula C19H11Cl2F3N2O3S and a molecular weight of 475.28 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID22646340
Molecular FormulaC19H11Cl2F3N2O3S
Molecular Weight475.28 g/mol
Exact Mass473.98
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl2F3N2O3S/c20-10-1-4-13(5-2-10)30(28,29)26-17-6-3-11(21)7-14(17)19(27)25-12-8-15(22)18(24)16(23)9-12/h1-9,26H,(H,25,27)
InChIKeyMXSGHVZEEDWWRH-UHFFFAOYSA-N
XLogP5.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.28
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812110
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 54471115
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide
CID 22646297
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide
CID 22646312
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 139818443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide (CID 22646340) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is MXSGHVZEEDWWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N2O3S/c20-10-1-4-13(5-2-10)30(28,29)26-17-6-3-11(21)7-14(17)19(27)25-12-8-15(22)18(24)16(23)9-12/h1-9,26H,(H,25,27).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 475.28 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 22646340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).