2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

C16H17F2NO3S — CID 46595987

IUPAC2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(CNS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-11(2)22-13-8-6-12(7-9-13)10-19-23(20,21)16-14(17)4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3
InChIKeyCRYLGCZSZUTVEQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.23
Rot. Bonds6

About 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 46595987) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID46595987
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(CNS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-11(2)22-13-8-6-12(7-9-13)10-19-23(20,21)16-14(17)4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3
InChIKeyCRYLGCZSZUTVEQ-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2,6-difluorobenzenesulfonamide
CID 81093126
1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 28576901
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 92680578
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide
CID 3738219
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 30386508
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 39360354
N-[4-(difluoromethoxy)phenyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
CID 9404964

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (CID 46595987) is 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is CC(C)Oc1ccc(CNS(=O)(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is CRYLGCZSZUTVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-11(2)22-13-8-6-12(7-9-13)10-19-23(20,21)16-14(17)4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46595987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).