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

C20H13Cl2F3N2O3S — CID 3439145

IUPAC4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl
InChIInChI=1S/C20H13Cl2F3N2O3S/c1-27(13-5-3-12(21)4-6-13)31(29,30)17-10-11(2-7-14(17)22)20(28)26-16-9-8-15(23)18(24)19(16)25/h2-10H,1H3,(H,26,28)
InChIKeyRTZXERVQYAXAEG-UHFFFAOYSA-N
MW489.30 g/mol
LogP5.49
Rot. Bonds5

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

4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 3439145) has the molecular formula C20H13Cl2F3N2O3S and a molecular weight of 489.30 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID3439145
Molecular FormulaC20H13Cl2F3N2O3S
Molecular Weight489.30 g/mol
Exact Mass488.00
IUPAC Name4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl
InChIInChI=1S/C20H13Cl2F3N2O3S/c1-27(13-5-3-12(21)4-6-13)31(29,30)17-10-11(2-7-14(17)22)20(28)26-16-9-8-15(23)18(24)19(16)25/h2-10H,1H3,(H,26,28)
InChIKeyRTZXERVQYAXAEG-UHFFFAOYSA-N
XLogP5.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.30
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522880
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2668465
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2378522
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
CID 30272949
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 26775018
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide (CID 3439145) is 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is RTZXERVQYAXAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O3S/c1-27(13-5-3-12(21)4-6-13)31(29,30)17-10-11(2-7-14(17)22)20(28)26-16-9-8-15(23)18(24)19(16)25/h2-10H,1H3,(H,26,28).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide?
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 489.30 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 3439145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).