N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

C20H15F3N2O3S — CID 4875220

IUPACN-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1
InChIInChI=1S/C20H15F3N2O3S/c21-20(22,23)15-8-4-10-17(12-15)25-29(27,28)18-11-5-9-16(13-18)24-19(26)14-6-2-1-3-7-14/h1-13,25H,(H,24,26)
InChIKeyXATWIEFNEZGCBH-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.76
Rot. Bonds5

About N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 4875220) has the molecular formula C20H15F3N2O3S and a molecular weight of 420.41 g/mol. Its IUPAC name is N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID4875220
Molecular FormulaC20H15F3N2O3S
Molecular Weight420.41 g/mol
Exact Mass420.08
IUPAC NameN-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1
InChIInChI=1S/C20H15F3N2O3S/c21-20(22,23)15-8-4-10-17(12-15)25-29(27,28)18-11-5-9-16(13-18)24-19(26)14-6-2-1-3-7-14/h1-13,25H,(H,24,26)
InChIKeyXATWIEFNEZGCBH-UHFFFAOYSA-N
XLogP4.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
CID 39154493
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 4875220) is N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is XATWIEFNEZGCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3S/c21-20(22,23)15-8-4-10-17(12-15)25-29(27,28)18-11-5-9-16(13-18)24-19(26)14-6-2-1-3-7-14/h1-13,25H,(H,24,26).
What are the key properties of N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 420.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4875220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).