(3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one

C19H16ClNO3S — CID 132519746

IUPAC(3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one
SMILESCc1ccc(S(=O)(=O)N2C[C@]3(CC=CC3=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H16ClNO3S/c1-13-4-7-15(8-5-13)25(23,24)21-12-19(10-2-3-18(19)22)16-11-14(20)6-9-17(16)21/h2-9,11H,10,12H2,1H3/t19-/m1/s1
InChIKeyPIMCWVQZFAQKDJ-LJQANCHMSA-N
MW373.86 g/mol
LogP3.62
Rot. Bonds2

About (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one

(3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one (PubChem CID 132519746) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one.

Molecular Properties

Compound Name(3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one
PubChem CID132519746
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name(3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one
SMILESCc1ccc(S(=O)(=O)N2C[C@]3(CC=CC3=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H16ClNO3S/c1-13-4-7-15(8-5-13)25(23,24)21-12-19(10-2-3-18(19)22)16-11-14(20)6-9-17(16)21/h2-9,11H,10,12H2,1H3/t19-/m1/s1
InChIKeyPIMCWVQZFAQKDJ-LJQANCHMSA-N
XLogP3.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one?
The IUPAC name of (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one (CID 132519746) is (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one.
What is the SMILES notation for (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one?
The canonical SMILES for (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one is Cc1ccc(S(=O)(=O)N2C[C@]3(CC=CC3=O)c3cc(Cl)ccc32)cc1.
What is the InChIKey of (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one?
The InChIKey is PIMCWVQZFAQKDJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-13-4-7-15(8-5-13)25(23,24)21-12-19(10-2-3-18(19)22)16-11-14(20)6-9-17(16)21/h2-9,11H,10,12H2,1H3/t19-/m1/s1.
What are the key properties of (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one?
(3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one has a molecular weight of 373.86 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one is sourced from PubChem (CID 132519746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).