2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

C10H13F2NO3S — CID 3854345

IUPAC2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO3S/c1-7(6-16-2)13-17(14,15)10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyXHOKFMWXTUNQMJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.28
Rot. Bonds5

About 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 3854345) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID3854345
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO3S/c1-7(6-16-2)13-17(14,15)10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyXHOKFMWXTUNQMJ-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602215
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoate
CID 25039001
2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide
CID 3710669
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
3-(aminomethyl)-2,4-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106057064
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
2-(3-aminoprop-1-ynyl)-4,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60844450

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 3854345) is 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is XHOKFMWXTUNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-7(6-16-2)13-17(14,15)10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3854345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).