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

C10H12F3NO2S — CID 66976625

IUPAC2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(c1ccccc1S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-9(2,10(11,12)13)7-5-3-4-6-8(7)17(14,15)16/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyGMNFQFYOEAKJOQ-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.17
Rot. Bonds2

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

2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 66976625) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID66976625
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(c1ccccc1S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-9(2,10(11,12)13)7-5-3-4-6-8(7)17(14,15)16/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyGMNFQFYOEAKJOQ-UHFFFAOYSA-N
XLogP2.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (CID 66976625) is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(c1ccccc1S(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is GMNFQFYOEAKJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-9(2,10(11,12)13)7-5-3-4-6-8(7)17(14,15)16/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 66976625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).