N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide

C24H28FNO5S — CID 142380229

IUPACN-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2
InChIInChI=1S/C24H28FNO5S/c1-16(2)15-26(19-5-3-18(25)4-6-19)32(28,29)20-7-8-23-21(13-20)22(27)14-24(31-23)17-9-11-30-12-10-17/h3-8,13,16-17,24H,9-12,14-15H2,1-2H3
InChIKeyQUQJUXQLGORBFO-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.44
Rot. Bonds6

About N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide

N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide (PubChem CID 142380229) has the molecular formula C24H28FNO5S and a molecular weight of 461.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
PubChem CID142380229
Molecular FormulaC24H28FNO5S
Molecular Weight461.56 g/mol
Exact Mass461.17
IUPAC NameN-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2
InChIInChI=1S/C24H28FNO5S/c1-16(2)15-26(19-5-3-18(25)4-6-19)32(28,29)20-7-8-23-21(13-20)22(27)14-24(31-23)17-9-11-30-12-10-17/h3-8,13,16-17,24H,9-12,14-15H2,1-2H3
InChIKeyQUQJUXQLGORBFO-UHFFFAOYSA-N
XLogP4.44
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide (CID 142380229) is N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide is CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2.
What is the InChIKey of N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The InChIKey is QUQJUXQLGORBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO5S/c1-16(2)15-26(19-5-3-18(25)4-6-19)32(28,29)20-7-8-23-21(13-20)22(27)14-24(31-23)17-9-11-30-12-10-17/h3-8,13,16-17,24H,9-12,14-15H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide has a molecular weight of 461.56 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 142380229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).