N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide

C15H16N2O5S — CID 99803055

IUPACN-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCCO1
InChIInChI=1S/C15H16N2O5S/c18-15(17-7-3-9-22-17)12-4-1-6-14(10-12)23(19,20)16-11-13-5-2-8-21-13/h1-2,4-6,8,10,16H,3,7,9,11H2
InChIKeyLYMMHBPPZOWNLL-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.54
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide

N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide (PubChem CID 99803055) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
PubChem CID99803055
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCCO1
InChIInChI=1S/C15H16N2O5S/c18-15(17-7-3-9-22-17)12-4-1-6-14(10-12)23(19,20)16-11-13-5-2-8-21-13/h1-2,4-6,8,10,16H,3,7,9,11H2
InChIKeyLYMMHBPPZOWNLL-UHFFFAOYSA-N
XLogP1.54
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 109064448
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
3-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55480300
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide (CID 99803055) is N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCCO1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide?
The InChIKey is LYMMHBPPZOWNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c18-15(17-7-3-9-22-17)12-4-1-6-14(10-12)23(19,20)16-11-13-5-2-8-21-13/h1-2,4-6,8,10,16H,3,7,9,11H2.
What are the key properties of N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 99803055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).