3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol

C10H13F2NO4S — CID 66177121

IUPAC3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
SMILESO=S(=O)(c1ccccc1NCC(O)CO)C(F)F
InChIInChI=1S/C10H13F2NO4S/c11-10(12)18(16,17)9-4-2-1-3-8(9)13-5-7(15)6-14/h1-4,7,10,13-15H,5-6H2
InChIKeyTWWAXCCQDUFERX-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.45
Rot. Bonds6

About 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol

3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol (PubChem CID 66177121) has the molecular formula C10H13F2NO4S and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
PubChem CID66177121
Molecular FormulaC10H13F2NO4S
Molecular Weight281.28 g/mol
Exact Mass281.05
IUPAC Name3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
SMILESO=S(=O)(c1ccccc1NCC(O)CO)C(F)F
InChIInChI=1S/C10H13F2NO4S/c11-10(12)18(16,17)9-4-2-1-3-8(9)13-5-7(15)6-14/h1-4,7,10,13-15H,5-6H2
InChIKeyTWWAXCCQDUFERX-UHFFFAOYSA-N
XLogP0.45
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
3-[2-(difluoromethylsulfonyl)anilino]-2-methoxypropanoic acid
CID 106108570
2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide
CID 168595239
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 78954690
4-[2-(difluoromethylsulfonyl)anilino]-3,3-dimethylbutan-1-ol
CID 103705332
4-[2-(difluoromethylsulfonyl)anilino]-1-methoxybutan-2-ol
CID 103875676
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
(1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 95620062
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol (CID 66177121) is 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol is O=S(=O)(c1ccccc1NCC(O)CO)C(F)F.
What is the InChIKey of 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol?
The InChIKey is TWWAXCCQDUFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO4S/c11-10(12)18(16,17)9-4-2-1-3-8(9)13-5-7(15)6-14/h1-4,7,10,13-15H,5-6H2.
What are the key properties of 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol?
3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol has a molecular weight of 281.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol is sourced from PubChem (CID 66177121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).