(4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide

C24H21F3N4O5S — CID 126668992

IUPAC(4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide
SMILESC[C@@]1(c2ccc(C(F)(F)F)cc2N2CCOC2=O)CCOc2cc(S(=O)(=O)Nc3cccnn3)ccc21
InChIInChI=1S/C24H21F3N4O5S/c1-23(17-6-4-15(24(25,26)27)13-19(17)31-10-12-36-22(31)32)8-11-35-20-14-16(5-7-18(20)23)37(33,34)30-21-3-2-9-28-29-21/h2-7,9,13-14H,8,10-12H2,1H3,(H,29,30)/t23-/m0/s1
InChIKeyZWSMGDHQFDWRBL-QHCPKHFHSA-N
MW534.52 g/mol
LogP4.34
Rot. Bonds5

About (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide

(4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide (PubChem CID 126668992) has the molecular formula C24H21F3N4O5S and a molecular weight of 534.52 g/mol. Its IUPAC name is (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide.

Molecular Properties

Compound Name(4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide
PubChem CID126668992
Molecular FormulaC24H21F3N4O5S
Molecular Weight534.52 g/mol
Exact Mass534.12
IUPAC Name(4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide
SMILESC[C@@]1(c2ccc(C(F)(F)F)cc2N2CCOC2=O)CCOc2cc(S(=O)(=O)Nc3cccnn3)ccc21
InChIInChI=1S/C24H21F3N4O5S/c1-23(17-6-4-15(24(25,26)27)13-19(17)31-10-12-36-22(31)32)8-11-35-20-14-16(5-7-18(20)23)37(33,34)30-21-3-2-9-28-29-21/h2-7,9,13-14H,8,10-12H2,1H3,(H,29,30)/t23-/m0/s1
InChIKeyZWSMGDHQFDWRBL-QHCPKHFHSA-N
XLogP4.34
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide?
The IUPAC name of (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide (CID 126668992) is (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide.
What is the SMILES notation for (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide?
The canonical SMILES for (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide is C[C@@]1(c2ccc(C(F)(F)F)cc2N2CCOC2=O)CCOc2cc(S(=O)(=O)Nc3cccnn3)ccc21.
What is the InChIKey of (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide?
The InChIKey is ZWSMGDHQFDWRBL-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21F3N4O5S/c1-23(17-6-4-15(24(25,26)27)13-19(17)31-10-12-36-22(31)32)8-11-35-20-14-16(5-7-18(20)23)37(33,34)30-21-3-2-9-28-29-21/h2-7,9,13-14H,8,10-12H2,1H3,(H,29,30)/t23-/m0/s1.
What are the key properties of (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide?
(4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide has a molecular weight of 534.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-[2-(2-oxo-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-2,3-dihydrochromene-7-sulfonamide is sourced from PubChem (CID 126668992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).