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

C20H12Cl3F3N2O3S — CID 2341223

IUPAC3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C20H12Cl3F3N2O3S/c21-15-7-5-13(10-17(15)23)27-19(29)11-2-1-3-14(8-11)32(30,31)28-18-9-12(20(24,25)26)4-6-16(18)22/h1-10,28H,(H,27,29)
InChIKeyYJBLMJKXSLPYAJ-UHFFFAOYSA-N
MW523.75 g/mol
LogP6.72
Rot. Bonds5

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

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide (PubChem CID 2341223) has the molecular formula C20H12Cl3F3N2O3S and a molecular weight of 523.75 g/mol. Its IUPAC name is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
PubChem CID2341223
Molecular FormulaC20H12Cl3F3N2O3S
Molecular Weight523.75 g/mol
Exact Mass521.96
IUPAC Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C20H12Cl3F3N2O3S/c21-15-7-5-13(10-17(15)23)27-19(29)11-2-1-3-14(8-11)32(30,31)28-18-9-12(20(24,25)26)4-6-16(18)22/h1-10,28H,(H,27,29)
InChIKeyYJBLMJKXSLPYAJ-UHFFFAOYSA-N
XLogP6.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.75
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4273748
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 46763134
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657146

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide (CID 2341223) is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is YJBLMJKXSLPYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3F3N2O3S/c21-15-7-5-13(10-17(15)23)27-19(29)11-2-1-3-14(8-11)32(30,31)28-18-9-12(20(24,25)26)4-6-16(18)22/h1-10,28H,(H,27,29).
What are the key properties of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide?
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 523.75 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 2341223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).