(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C18H17ClN2O3S — CID 95103986

IUPAC(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc21
InChIInChI=1S/C18H17ClN2O3S/c1-20-16-5-3-2-4-15(16)18(17(20)22)10-11-21(12-18)25(23,24)14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3/t18-/m1/s1
InChIKeyPDXGXOSDLOSBHA-GOSISDBHSA-N
MW376.87 g/mol
LogP2.65
Rot. Bonds2

About (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103986) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID95103986
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc21
InChIInChI=1S/C18H17ClN2O3S/c1-20-16-5-3-2-4-15(16)18(17(20)22)10-11-21(12-18)25(23,24)14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3/t18-/m1/s1
InChIKeyPDXGXOSDLOSBHA-GOSISDBHSA-N
XLogP2.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 95103986) is (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc21.
What is the InChIKey of (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PDXGXOSDLOSBHA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-20-16-5-3-2-4-15(16)18(17(20)22)10-11-21(12-18)25(23,24)14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3/t18-/m1/s1.
What are the key properties of (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 376.87 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).