3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol

C11H15F2NO3S — CID 63938843

IUPAC3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO3S/c1-8(7-15)6-14-9-4-2-3-5-10(9)18(16,17)11(12)13/h2-5,8,11,14-15H,6-7H2,1H3
InChIKeyBPEWGAUWUSWBMT-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.72
Rot. Bonds6

About 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol

3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol (PubChem CID 63938843) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
PubChem CID63938843
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO3S/c1-8(7-15)6-14-9-4-2-3-5-10(9)18(16,17)11(12)13/h2-5,8,11,14-15H,6-7H2,1H3
InChIKeyBPEWGAUWUSWBMT-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol?
The IUPAC name of 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol (CID 63938843) is 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol is CC(CO)CNc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol?
The InChIKey is BPEWGAUWUSWBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-8(7-15)6-14-9-4-2-3-5-10(9)18(16,17)11(12)13/h2-5,8,11,14-15H,6-7H2,1H3.
What are the key properties of 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol?
3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol has a molecular weight of 279.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethylsulfonyl)anilino]-2-methylpropan-1-ol is sourced from PubChem (CID 63938843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).