4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide

C19H11Cl3F2N2O3S — CID 21236808

IUPAC4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H11Cl3F2N2O3S/c20-11-2-5-13(21)17(8-11)26-30(28,29)18-7-10(1-4-14(18)22)19(27)25-12-3-6-15(23)16(24)9-12/h1-9,26H,(H,25,27)
InChIKeyHMEXYBYMMWESRK-UHFFFAOYSA-N
MW491.73 g/mol
LogP5.98
Rot. Bonds5

About 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide

4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide (PubChem CID 21236808) has the molecular formula C19H11Cl3F2N2O3S and a molecular weight of 491.73 g/mol. Its IUPAC name is 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
PubChem CID21236808
Molecular FormulaC19H11Cl3F2N2O3S
Molecular Weight491.73 g/mol
Exact Mass489.95
IUPAC Name4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H11Cl3F2N2O3S/c20-11-2-5-13(21)17(8-11)26-30(28,29)18-7-10(1-4-14(18)22)19(27)25-12-3-6-15(23)16(24)9-12/h1-9,26H,(H,25,27)
InChIKeyHMEXYBYMMWESRK-UHFFFAOYSA-N
XLogP5.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.73
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 4781795
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2379114
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide (CID 21236808) is 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide?
The InChIKey is HMEXYBYMMWESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F2N2O3S/c20-11-2-5-13(21)17(8-11)26-30(28,29)18-7-10(1-4-14(18)22)19(27)25-12-3-6-15(23)16(24)9-12/h1-9,26H,(H,25,27).
What are the key properties of 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide?
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide has a molecular weight of 491.73 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide is sourced from PubChem (CID 21236808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).