2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide

C13H13F2NO4S — CID 105116996

IUPAC2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(CO)cc(F)c1F
InChIInChI=1S/C13H13F2NO4S/c1-16(7-10-3-2-4-20-10)21(18,19)12-6-9(8-17)5-11(14)13(12)15/h2-6,17H,7-8H2,1H3
InChIKeyPWTFIKBWUUMRCW-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.87
Rot. Bonds5

About 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide

2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 105116996) has the molecular formula C13H13F2NO4S and a molecular weight of 317.31 g/mol. Its IUPAC name is 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID105116996
Molecular FormulaC13H13F2NO4S
Molecular Weight317.31 g/mol
Exact Mass317.05
IUPAC Name2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(CO)cc(F)c1F
InChIInChI=1S/C13H13F2NO4S/c1-16(7-10-3-2-4-20-10)21(18,19)12-6-9(8-17)5-11(14)13(12)15/h2-6,17H,7-8H2,1H3
InChIKeyPWTFIKBWUUMRCW-UHFFFAOYSA-N
XLogP1.87
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 79179197
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 105116983
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 105117594
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
5-(aminomethyl)-2,3-difluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 105119593
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 102930942
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 105116996) is 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1cc(CO)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is PWTFIKBWUUMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO4S/c1-16(7-10-3-2-4-20-10)21(18,19)12-6-9(8-17)5-11(14)13(12)15/h2-6,17H,7-8H2,1H3.
What are the key properties of 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide?
2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 317.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 105116996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).