1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene

C11H15F3N2O2S — CID 167049064

IUPAC1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cc1)S(N)(=O)=O
InChIInChI=1S/C11H15F3N2O2S/c1-8(2)16(19(15,17)18)7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8H,7H2,1-2H3,(H2,15,17,18)
InChIKeyJJVBXIYPLBSOKH-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.12
Rot. Bonds4

About 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene

1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene (PubChem CID 167049064) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene
PubChem CID167049064
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cc1)S(N)(=O)=O
InChIInChI=1S/C11H15F3N2O2S/c1-8(2)16(19(15,17)18)7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8H,7H2,1-2H3,(H2,15,17,18)
InChIKeyJJVBXIYPLBSOKH-UHFFFAOYSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene (CID 167049064) is 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene is CC(C)N(Cc1ccc(C(F)(F)F)cc1)S(N)(=O)=O.
What is the InChIKey of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene?
The InChIKey is JJVBXIYPLBSOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-8(2)16(19(15,17)18)7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8H,7H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene?
1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene has a molecular weight of 296.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 167049064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).