2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide

C10H12F3NO2S — CID 66737331

IUPAC2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(CF)(c1ccccc1S(N)(=O)=O)C(F)F
InChIInChI=1S/C10H12F3NO2S/c1-10(6-11,9(12)13)7-4-2-3-5-8(7)17(14,15)16/h2-5,9H,6H2,1H3,(H2,14,15,16)
InChIKeyRVFIOXHJPWSSCU-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.83
Rot. Bonds4

About 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide

2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 66737331) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID66737331
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(CF)(c1ccccc1S(N)(=O)=O)C(F)F
InChIInChI=1S/C10H12F3NO2S/c1-10(6-11,9(12)13)7-4-2-3-5-8(7)17(14,15)16/h2-5,9H,6H2,1H3,(H2,14,15,16)
InChIKeyRVFIOXHJPWSSCU-UHFFFAOYSA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (CID 66737331) is 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is CC(CF)(c1ccccc1S(N)(=O)=O)C(F)F.
What is the InChIKey of 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is RVFIOXHJPWSSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-10(6-11,9(12)13)7-4-2-3-5-8(7)17(14,15)16/h2-5,9H,6H2,1H3,(H2,14,15,16).
What are the key properties of 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 66737331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).