N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide

C12H17F2NO3S — CID 71996836

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-8-19(16,17)15(2)9-10-6-4-5-7-11(10)18-12(13)14/h4-7,12H,3,8-9H2,1-2H3
InChIKeyIXDXVEOPZOKGKU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.46
Rot. Bonds7

About N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide

N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide (PubChem CID 71996836) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
PubChem CID71996836
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-8-19(16,17)15(2)9-10-6-4-5-7-11(10)18-12(13)14/h4-7,12H,3,8-9H2,1-2H3
InChIKeyIXDXVEOPZOKGKU-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
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N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
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1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene
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2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
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CID 63644790
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide
CID 54939449
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
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N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide (CID 71996836) is N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)Cc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is IXDXVEOPZOKGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-3-8-19(16,17)15(2)9-10-6-4-5-7-11(10)18-12(13)14/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 293.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 71996836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).