1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene

C13H20F2N2O3S — CID 86931192

IUPAC1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene
SMILESCCCCN(C)S(=O)(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C13H20F2N2O3S/c1-3-4-9-17(2)21(18,19)16-10-11-7-5-6-8-12(11)20-13(14)15/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyVOUATTKSIISYTG-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.35
Rot. Bonds9

About 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene

1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene (PubChem CID 86931192) has the molecular formula C13H20F2N2O3S and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene
PubChem CID86931192
Molecular FormulaC13H20F2N2O3S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene
SMILESCCCCN(C)S(=O)(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C13H20F2N2O3S/c1-3-4-9-17(2)21(18,19)16-10-11-7-5-6-8-12(11)20-13(14)15/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyVOUATTKSIISYTG-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
CID 71996836
N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251
N-[[2-(difluoromethoxy)phenyl]methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720660
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3551979
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
N-[[2-(difluoromethoxy)phenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912231
3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3449670
2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide
CID 55904290

Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene?
The IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene (CID 86931192) is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene.
What is the SMILES notation for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene?
The canonical SMILES for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene is CCCCN(C)S(=O)(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene?
The InChIKey is VOUATTKSIISYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3S/c1-3-4-9-17(2)21(18,19)16-10-11-7-5-6-8-12(11)20-13(14)15/h5-8,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene?
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene has a molecular weight of 322.38 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene is sourced from PubChem (CID 86931192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).