2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

C11H13F2NO4S — CID 103848108

IUPAC2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c12-8-2-1-3-9(13)10(8)19(16,17)14-6-11(15)4-5-18-7-11/h1-3,14-15H,4-7H2
InChIKeyNDCDGJDZKVDBHW-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.39
Rot. Bonds4

About 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (PubChem CID 103848108) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
PubChem CID103848108
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOC1)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c12-8-2-1-3-9(13)10(8)19(16,17)14-6-11(15)4-5-18-7-11/h1-3,14-15H,4-7H2
InChIKeyNDCDGJDZKVDBHW-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099213
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106100372
2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
CID 91631214
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848197
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 106100368
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 103848059

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (CID 103848108) is 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The InChIKey is NDCDGJDZKVDBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c12-8-2-1-3-9(13)10(8)19(16,17)14-6-11(15)4-5-18-7-11/h1-3,14-15H,4-7H2.
What are the key properties of 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide has a molecular weight of 293.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103848108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).