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

C16H11FN2O4S — CID 46394722

IUPACN-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C16H11FN2O4S/c17-11-1-3-12(4-2-11)19-24(20,21)13-5-6-15-14(7-13)16-10(9-22-15)8-18-23-16/h1-8,19H,9H2
InChIKeyXVWSHQLFGIOSNP-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.17
Rot. Bonds3

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

N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (PubChem CID 46394722) has the molecular formula C16H11FN2O4S and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
PubChem CID46394722
Molecular FormulaC16H11FN2O4S
Molecular Weight346.34 g/mol
Exact Mass346.04
IUPAC NameN-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C16H11FN2O4S/c17-11-1-3-12(4-2-11)19-24(20,21)13-5-6-15-14(7-13)16-10(9-22-15)8-18-23-16/h1-8,19H,9H2
InChIKeyXVWSHQLFGIOSNP-UHFFFAOYSA-N
XLogP3.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394712
N-(2-methoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394791
N-[4-(diethylamino)-2-methylphenyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394783
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
N-(9H-fluoren-2-yl)-4-fluorobenzenesulfonamide
CID 3457816
N-(9H-fluoren-3-yl)-4-fluorobenzenesulfonamide
CID 25331334
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 50824729
2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide
CID 10414652
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 8841643
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide (CID 46394722) is N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)-c1oncc1CO2.
What is the InChIKey of N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
The InChIKey is XVWSHQLFGIOSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4S/c17-11-1-3-12(4-2-11)19-24(20,21)13-5-6-15-14(7-13)16-10(9-22-15)8-18-23-16/h1-8,19H,9H2.
What are the key properties of N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide?
N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide has a molecular weight of 346.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide is sourced from PubChem (CID 46394722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).