2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol

C13H17F2NO3S — CID 102868971

IUPAC2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccccc1N(CCO)C1CCC1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-7-2-1-6-11(12)16(8-9-17)10-4-3-5-10/h1-2,6-7,10,13,17H,3-5,8-9H2
InChIKeyGZCSVRJUZXAQCK-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.03
Rot. Bonds6

About 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol

2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol (PubChem CID 102868971) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
PubChem CID102868971
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccccc1N(CCO)C1CCC1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-7-2-1-6-11(12)16(8-9-17)10-4-3-5-10/h1-2,6-7,10,13,17H,3-5,8-9H2
InChIKeyGZCSVRJUZXAQCK-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 133398357
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580
N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
CID 63643765
N-(2-chloroethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 63388745
2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide
CID 102874536
N-(2-bromoethyl)-N-cyclopentyl-2-methylsulfonylaniline
CID 80669660
N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62922768
N-(3-chloropropyl)-N-cyclobutyl-2-methylsulfonylaniline
CID 102871484

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol (CID 102868971) is 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol is O=S(=O)(c1ccccc1N(CCO)C1CCC1)C(F)F.
What is the InChIKey of 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol?
The InChIKey is GZCSVRJUZXAQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-7-2-1-6-11(12)16(8-9-17)10-4-3-5-10/h1-2,6-7,10,13,17H,3-5,8-9H2.
What are the key properties of 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol?
2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol has a molecular weight of 305.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol is sourced from PubChem (CID 102868971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).