(4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone

C23H22ClN3O3S2 — CID 3288052

IUPAC(4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCSC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2
InChIInChI=1S/C23H22ClN3O3S2/c24-19-8-6-18(7-9-19)22(28)27-15-16-31-23(27)10-13-26(14-11-23)32(29,30)20-5-1-3-17-4-2-12-25-21(17)20/h1-9,12H,10-11,13-16H2
InChIKeyFCZPLRKXWQVMFE-UHFFFAOYSA-N
MW488.03 g/mol
LogP4.26
Rot. Bonds3

About (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone

(4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone (PubChem CID 3288052) has the molecular formula C23H22ClN3O3S2 and a molecular weight of 488.03 g/mol. Its IUPAC name is (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
PubChem CID3288052
Molecular FormulaC23H22ClN3O3S2
Molecular Weight488.03 g/mol
Exact Mass487.08
IUPAC Name(4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCSC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2
InChIInChI=1S/C23H22ClN3O3S2/c24-19-8-6-18(7-9-19)22(28)27-15-16-31-23(27)10-13-26(14-11-23)32(29,30)20-5-1-3-17-4-2-12-25-21(17)20/h1-9,12H,10-11,13-16H2
InChIKeyFCZPLRKXWQVMFE-UHFFFAOYSA-N
XLogP4.26
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone (CID 3288052) is (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCSC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2.
What is the InChIKey of (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The InChIKey is FCZPLRKXWQVMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S2/c24-19-8-6-18(7-9-19)22(28)27-15-16-31-23(27)10-13-26(14-11-23)32(29,30)20-5-1-3-17-4-2-12-25-21(17)20/h1-9,12H,10-11,13-16H2.
What are the key properties of (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
(4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone has a molecular weight of 488.03 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone is sourced from PubChem (CID 3288052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).