1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine

C10H14F3N3O2S — CID 114804552

IUPAC1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCC(C)NS(=O)(=O)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-6(2)15-19(17,18)16-9-4-3-7(14)5-8(9)10(11,12)13/h3-6,15-16H,14H2,1-2H3
InChIKeyMDBBDDSXXJLPDO-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.94
Rot. Bonds4

About 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine

1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 114804552) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID114804552
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCC(C)NS(=O)(=O)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-6(2)15-19(17,18)16-9-4-3-7(14)5-8(9)10(11,12)13/h3-6,15-16H,14H2,1-2H3
InChIKeyMDBBDDSXXJLPDO-UHFFFAOYSA-N
XLogP1.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 114804552) is 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine is CC(C)NS(=O)(=O)Nc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is MDBBDDSXXJLPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-6(2)15-19(17,18)16-9-4-3-7(14)5-8(9)10(11,12)13/h3-6,15-16H,14H2,1-2H3.
What are the key properties of 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 297.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 114804552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).