8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

C24H25ClN2O4S — CID 92667670

IUPAC8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESC[C@H]1C[C@H](C)CN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3cc4c(cc23)OCCO4)C1
InChIInChI=1S/C24H25ClN2O4S/c1-15-9-16(2)14-27(13-15)24-19-10-21-22(31-8-7-30-21)11-20(19)26-12-23(24)32(28,29)18-5-3-17(25)4-6-18/h3-6,10-12,15-16H,7-9,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyLLVZGOUAWZWLFM-HOTGVXAUSA-N
MW472.99 g/mol
LogP4.97
Rot. Bonds3

About 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (PubChem CID 92667670) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.

Molecular Properties

Compound Name8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
PubChem CID92667670
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESC[C@H]1C[C@H](C)CN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3cc4c(cc23)OCCO4)C1
InChIInChI=1S/C24H25ClN2O4S/c1-15-9-16(2)14-27(13-15)24-19-10-21-22(31-8-7-30-21)11-20(19)26-12-23(24)32(28,29)18-5-3-17(25)4-6-18/h3-6,10-12,15-16H,7-9,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyLLVZGOUAWZWLFM-HOTGVXAUSA-N
XLogP4.97
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The IUPAC name of 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (CID 92667670) is 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.
What is the SMILES notation for 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The canonical SMILES for 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is C[C@H]1C[C@H](C)CN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3cc4c(cc23)OCCO4)C1.
What is the InChIKey of 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The InChIKey is LLVZGOUAWZWLFM-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-15-9-16(2)14-27(13-15)24-19-10-21-22(31-8-7-30-21)11-20(19)26-12-23(24)32(28,29)18-5-3-17(25)4-6-18/h3-6,10-12,15-16H,7-9,13-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline has a molecular weight of 472.99 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)sulfonyl-9-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is sourced from PubChem (CID 92667670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).