N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide

C22H19F3N2O3S — CID 108797110

IUPACN-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O3S/c1-2-27(18-8-4-3-5-9-18)31(29,30)20-11-7-6-10-19(20)26-21(28)16-12-14-17(15-13-16)22(23,24)25/h3-15H,2H2,1H3,(H,26,28)
InChIKeySEDBGAVZGZQRDG-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.17
Rot. Bonds6

About N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide

N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 108797110) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID108797110
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC NameN-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O3S/c1-2-27(18-8-4-3-5-9-18)31(29,30)20-11-7-6-10-19(20)26-21(28)16-12-14-17(15-13-16)22(23,24)25/h3-15H,2H2,1H3,(H,26,28)
InChIKeySEDBGAVZGZQRDG-UHFFFAOYSA-N
XLogP5.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 4797097
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 108793591
N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide
CID 168610908
2-(4-acetamidophenyl)-N-[2-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 108792688
N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2711419
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1317339
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide (CID 108797110) is N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SEDBGAVZGZQRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c1-2-27(18-8-4-3-5-9-18)31(29,30)20-11-7-6-10-19(20)26-21(28)16-12-14-17(15-13-16)22(23,24)25/h3-15H,2H2,1H3,(H,26,28).
What are the key properties of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide?
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 448.47 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108797110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).