4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C21H17F3N2O3S — CID 2105846

IUPAC4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O3S/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(27)16-9-11-19(12-10-16)30(28,29)26-18-7-2-1-3-8-18/h1-13,26H,14H2,(H,25,27)
InChIKeyVVFQKDWDZFWMKM-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.44
Rot. Bonds6

About 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 2105846) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID2105846
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O3S/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(27)16-9-11-19(12-10-16)30(28,29)26-18-7-2-1-3-8-18/h1-13,26H,14H2,(H,25,27)
InChIKeyVVFQKDWDZFWMKM-UHFFFAOYSA-N
XLogP4.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144706
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
CID 46386301
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
CID 55814511
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 2105846) is 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is VVFQKDWDZFWMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(27)16-9-11-19(12-10-16)30(28,29)26-18-7-2-1-3-8-18/h1-13,26H,14H2,(H,25,27).
What are the key properties of 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 2105846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).