N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide

C19H15F3N2O3S2 — CID 44825229

IUPACN-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1)c1ccccc1
InChIInChI=1S/C19H15F3N2O3S2/c20-19(21,22)14-6-8-15(9-7-14)24-29(26,27)17-11-10-16(28-17)12-23-18(25)13-4-2-1-3-5-13/h1-11,24H,12H2,(H,23,25)
InChIKeyOXIOCVFIMUWHEE-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.50
Rot. Bonds6

About N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide

N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 44825229) has the molecular formula C19H15F3N2O3S2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID44825229
Molecular FormulaC19H15F3N2O3S2
Molecular Weight440.47 g/mol
Exact Mass440.05
IUPAC NameN-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1)c1ccccc1
InChIInChI=1S/C19H15F3N2O3S2/c20-19(21,22)14-6-8-15(9-7-14)24-29(26,27)17-11-10-16(28-17)12-23-18(25)13-4-2-1-3-5-13/h1-11,24H,12H2,(H,23,25)
InChIKeyOXIOCVFIMUWHEE-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide (CID 44825229) is N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1)c1ccccc1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is OXIOCVFIMUWHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S2/c20-19(21,22)14-6-8-15(9-7-14)24-29(26,27)17-11-10-16(28-17)12-23-18(25)13-4-2-1-3-5-13/h1-11,24H,12H2,(H,23,25).
What are the key properties of N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 440.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 44825229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).