N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide

C16H8ClF9N2O3S — CID 155552193

IUPACN-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8ClF9N2O3S/c17-11-6-10(1-2-12(11)28-32(30,31)16(24,25)26)27-13(29)7-3-8(14(18,19)20)5-9(4-7)15(21,22)23/h1-6,28H,(H,27,29)
InChIKeyQHETVSZJPLAIDJ-UHFFFAOYSA-N
MW514.75 g/mol
LogP5.89
Rot. Bonds4

About N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 155552193) has the molecular formula C16H8ClF9N2O3S and a molecular weight of 514.75 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID155552193
Molecular FormulaC16H8ClF9N2O3S
Molecular Weight514.75 g/mol
Exact Mass513.98
IUPAC NameN-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8ClF9N2O3S/c17-11-6-10(1-2-12(11)28-32(30,31)16(24,25)26)27-13(29)7-3-8(14(18,19)20)5-9(4-7)15(21,22)23/h1-6,28H,(H,27,29)
InChIKeyQHETVSZJPLAIDJ-UHFFFAOYSA-N
XLogP5.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.75
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 155550237
4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155510385
N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
CID 3781466
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155551960

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 155552193) is N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is QHETVSZJPLAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF9N2O3S/c17-11-6-10(1-2-12(11)28-32(30,31)16(24,25)26)27-13(29)7-3-8(14(18,19)20)5-9(4-7)15(21,22)23/h1-6,28H,(H,27,29).
What are the key properties of N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 514.75 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 155552193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).