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

C12H18F3N3O2S — CID 65483179

IUPAC1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C12H18F3N3O2S/c1-8(2)18(3)21(19,20)17-10-5-4-9(7-16)11(6-10)12(13,14)15/h4-6,8,17H,7,16H2,1-3H3
InChIKeyDPUYFGNAOZLETF-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.16
Rot. Bonds5

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

1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene (PubChem CID 65483179) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
PubChem CID65483179
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C12H18F3N3O2S/c1-8(2)18(3)21(19,20)17-10-5-4-9(7-16)11(6-10)12(13,14)15/h4-6,8,17H,7,16H2,1-3H3
InChIKeyDPUYFGNAOZLETF-UHFFFAOYSA-N
XLogP2.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene (CID 65483179) is 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene is CC(C)N(C)S(=O)(=O)Nc1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene?
The InChIKey is DPUYFGNAOZLETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-8(2)18(3)21(19,20)17-10-5-4-9(7-16)11(6-10)12(13,14)15/h4-6,8,17H,7,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene?
1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene has a molecular weight of 325.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 65483179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).