N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide

C16H10F2N2O4S — CID 46394712

IUPACN-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C16H10F2N2O4S/c17-10-1-3-14(13(18)5-10)20-25(21,22)11-2-4-15-12(6-11)16-9(8-23-15)7-19-24-16/h1-7,20H,8H2
InChIKeyIWYMWROTCVOQTH-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.31
Rot. Bonds3

About N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide

N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (PubChem CID 46394712) has the molecular formula C16H10F2N2O4S and a molecular weight of 364.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
PubChem CID46394712
Molecular FormulaC16H10F2N2O4S
Molecular Weight364.33 g/mol
Exact Mass364.03
IUPAC NameN-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C16H10F2N2O4S/c17-10-1-3-14(13(18)5-10)20-25(21,22)11-2-4-15-12(6-11)16-9(8-23-15)7-19-24-16/h1-7,20H,8H2
InChIKeyIWYMWROTCVOQTH-UHFFFAOYSA-N
XLogP3.31
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (CID 46394712) is N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)-c1oncc1CO2.
What is the InChIKey of N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The InChIKey is IWYMWROTCVOQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O4S/c17-10-1-3-14(13(18)5-10)20-25(21,22)11-2-4-15-12(6-11)16-9(8-23-15)7-19-24-16/h1-7,20H,8H2.
What are the key properties of N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide has a molecular weight of 364.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is sourced from PubChem (CID 46394712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).