N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide

C16H12F6N2O4S — CID 52699404

IUPACN-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H12F6N2O4S/c17-15(18,19)9-23-14(25)10-3-1-6-13(7-10)29(26,27)24-11-4-2-5-12(8-11)28-16(20,21)22/h1-8,24H,9H2,(H,23,25)
InChIKeyGXKWZZKANYDVRO-UHFFFAOYSA-N
MW442.34 g/mol
LogP3.68
Rot. Bonds6

About N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide

N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide (PubChem CID 52699404) has the molecular formula C16H12F6N2O4S and a molecular weight of 442.34 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
PubChem CID52699404
Molecular FormulaC16H12F6N2O4S
Molecular Weight442.34 g/mol
Exact Mass442.04
IUPAC NameN-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H12F6N2O4S/c17-15(18,19)9-23-14(25)10-3-1-6-13(7-10)29(26,27)24-11-4-2-5-12(8-11)28-16(20,21)22/h1-8,24H,9H2,(H,23,25)
InChIKeyGXKWZZKANYDVRO-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 47062724
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
N-(2-amino-2-oxoethyl)-3-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55663136
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide (CID 52699404) is N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide is O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
The InChIKey is GXKWZZKANYDVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O4S/c17-15(18,19)9-23-14(25)10-3-1-6-13(7-10)29(26,27)24-11-4-2-5-12(8-11)28-16(20,21)22/h1-8,24H,9H2,(H,23,25).
What are the key properties of N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide has a molecular weight of 442.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 52699404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).