4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine

C24H21ClF2N2O6S2 — CID 71510023

IUPAC4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine
SMILESO=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1ccnnc1
InChIInChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-9-11-34-21(8-12-36(30,31)17-7-10-28-29-13-17)18(24)14-35-23-20(27)6-5-19(26)22(23)24/h1-7,10,13,18,21H,8-9,11-12,14H2/t18-,21-,24-/m0/s1
InChIKeyGIMGXSNDEFJSPG-XZOYJPPVSA-N
MW571.02 g/mol
LogP3.74
Rot. Bonds6

About 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine

4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine (PubChem CID 71510023) has the molecular formula C24H21ClF2N2O6S2 and a molecular weight of 571.02 g/mol. Its IUPAC name is 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine.

Molecular Properties

Compound Name4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine
PubChem CID71510023
Molecular FormulaC24H21ClF2N2O6S2
Molecular Weight571.02 g/mol
Exact Mass570.05
IUPAC Name4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine
SMILESO=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1ccnnc1
InChIInChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-9-11-34-21(8-12-36(30,31)17-7-10-28-29-13-17)18(24)14-35-23-20(27)6-5-19(26)22(23)24/h1-7,10,13,18,21H,8-9,11-12,14H2/t18-,21-,24-/m0/s1
InChIKeyGIMGXSNDEFJSPG-XZOYJPPVSA-N
XLogP3.74
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.02
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine 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 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine?
The IUPAC name of 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine (CID 71510023) is 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine.
What is the SMILES notation for 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine?
The canonical SMILES for 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine is O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1ccnnc1.
What is the InChIKey of 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine?
The InChIKey is GIMGXSNDEFJSPG-XZOYJPPVSA-N. The full InChI is InChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-9-11-34-21(8-12-36(30,31)17-7-10-28-29-13-17)18(24)14-35-23-20(27)6-5-19(26)22(23)24/h1-7,10,13,18,21H,8-9,11-12,14H2/t18-,21-,24-/m0/s1.
What are the key properties of 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine?
4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine has a molecular weight of 571.02 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]pyridazine is sourced from PubChem (CID 71510023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).