3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide

C19H21F3N2O3S — CID 97255062

IUPAC3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13(2)24-28(26,27)16-11-7-8-14(12-16)17(25)23-18(3,19(20,21)22)15-9-5-4-6-10-15/h4-13,24H,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyFHZCYSWFWWZUBY-SFHVURJKSA-N
MW414.45 g/mol
LogP3.58
Rot. Bonds6

About 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide

3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide (PubChem CID 97255062) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide
PubChem CID97255062
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13(2)24-28(26,27)16-11-7-8-14(12-16)17(25)23-18(3,19(20,21)22)15-9-5-4-6-10-15/h4-13,24H,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyFHZCYSWFWWZUBY-SFHVURJKSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide (CID 97255062) is 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide?
The InChIKey is FHZCYSWFWWZUBY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-13(2)24-28(26,27)16-11-7-8-14(12-16)17(25)23-18(3,19(20,21)22)15-9-5-4-6-10-15/h4-13,24H,1-3H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide?
3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide has a molecular weight of 414.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 97255062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).