2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide

C13H14BrNO4S — CID 114363027

IUPAC2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)NCc2ccco2)c1Br
InChIInChI=1S/C13H14BrNO4S/c1-9-5-10(8-16)6-12(13(9)14)20(17,18)15-7-11-3-2-4-19-11/h2-6,15-16H,7-8H2,1H3
InChIKeyNWWZGRJTZNGDHD-UHFFFAOYSA-N
MW360.23 g/mol
LogP2.32
Rot. Bonds5

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

2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide (PubChem CID 114363027) has the molecular formula C13H14BrNO4S and a molecular weight of 360.23 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
PubChem CID114363027
Molecular FormulaC13H14BrNO4S
Molecular Weight360.23 g/mol
Exact Mass358.98
IUPAC Name2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)NCc2ccco2)c1Br
InChIInChI=1S/C13H14BrNO4S/c1-9-5-10(8-16)6-12(13(9)14)20(17,18)15-7-11-3-2-4-19-11/h2-6,15-16H,7-8H2,1H3
InChIKeyNWWZGRJTZNGDHD-UHFFFAOYSA-N
XLogP2.32
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(hydroxymethyl)-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423616
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 105120080
5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28718585
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
2-bromo-N-(2-cyclobutylethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363296
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26944366
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide (CID 114363027) is 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide is Cc1cc(CO)cc(S(=O)(=O)NCc2ccco2)c1Br.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide?
The InChIKey is NWWZGRJTZNGDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4S/c1-9-5-10(8-16)6-12(13(9)14)20(17,18)15-7-11-3-2-4-19-11/h2-6,15-16H,7-8H2,1H3.
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide?
2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide has a molecular weight of 360.23 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 114363027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).