4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

C16H15FN2O4S — CID 38260611

IUPAC4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN2O4S/c1-12-9-15(23-18-12)11-19(10-14-3-2-8-22-14)24(20,21)16-6-4-13(17)5-7-16/h2-9H,10-11H2,1H3
InChIKeyBDEIDDXBXABBOH-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.11
Rot. Bonds6

About 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 38260611) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID38260611
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN2O4S/c1-12-9-15(23-18-12)11-19(10-14-3-2-8-22-14)24(20,21)16-6-4-13(17)5-7-16/h2-9H,10-11H2,1H3
InChIKeyBDEIDDXBXABBOH-UHFFFAOYSA-N
XLogP3.11
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 38260611) is 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is Cc1cc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)on1.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is BDEIDDXBXABBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-12-9-15(23-18-12)11-19(10-14-3-2-8-22-14)24(20,21)16-6-4-13(17)5-7-16/h2-9H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 350.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 38260611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).