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

C24H27F2NO5S — CID 142380223

IUPACN-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2
InChIInChI=1S/C24H27F2NO5S/c1-15(2)14-27(21-5-3-17(25)11-20(21)26)33(29,30)18-4-6-23-19(12-18)22(28)13-24(32-23)16-7-9-31-10-8-16/h3-6,11-12,15-16,24H,7-10,13-14H2,1-2H3
InChIKeyHTTARCKLNXSKHS-UHFFFAOYSA-N
MW479.55 g/mol
LogP4.58
Rot. Bonds6

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

N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide (PubChem CID 142380223) has the molecular formula C24H27F2NO5S and a molecular weight of 479.55 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
PubChem CID142380223
Molecular FormulaC24H27F2NO5S
Molecular Weight479.55 g/mol
Exact Mass479.16
IUPAC NameN-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2
InChIInChI=1S/C24H27F2NO5S/c1-15(2)14-27(21-5-3-17(25)11-20(21)26)33(29,30)18-4-6-23-19(12-18)22(28)13-24(32-23)16-7-9-31-10-8-16/h3-6,11-12,15-16,24H,7-10,13-14H2,1-2H3
InChIKeyHTTARCKLNXSKHS-UHFFFAOYSA-N
XLogP4.58
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide (CID 142380223) is N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide is CC(C)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)C(=O)CC(C1CCOCC1)O2.
What is the InChIKey of N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The InChIKey is HTTARCKLNXSKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2NO5S/c1-15(2)14-27(21-5-3-17(25)11-20(21)26)33(29,30)18-4-6-23-19(12-18)22(28)13-24(32-23)16-7-9-31-10-8-16/h3-6,11-12,15-16,24H,7-10,13-14H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide has a molecular weight of 479.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 142380223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).