N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline

C10H13F3N2O2S — CID 12503957

IUPACN-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline
SMILESCC(C)NS(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7(2)14-18(16,17)15-9-6-4-3-5-8(9)10(11,12)13/h3-7,14-15H,1-2H3
InChIKeyCCBIPVVBQFWAPY-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.36
Rot. Bonds4

About N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline

N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline (PubChem CID 12503957) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline
PubChem CID12503957
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline
SMILESCC(C)NS(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7(2)14-18(16,17)15-9-6-4-3-5-8(9)10(11,12)13/h3-7,14-15H,1-2H3
InChIKeyCCBIPVVBQFWAPY-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 114804552
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640821
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42282470
4-(methylamino)-N-[2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 106057256
2-(3-aminoprop-1-ynyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114812041
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936966
methyl 4-methyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 99600303

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline (CID 12503957) is N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline is CC(C)NS(=O)(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline?
The InChIKey is CCBIPVVBQFWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-7(2)14-18(16,17)15-9-6-4-3-5-8(9)10(11,12)13/h3-7,14-15H,1-2H3.
What are the key properties of N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline?
N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline has a molecular weight of 282.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 12503957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).