[1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone

C18H16ClNO3S — CID 3377220

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClNO3S/c19-14-5-7-15(8-6-14)24(22,23)18(10-11-18)17(21)20-12-9-13-3-1-2-4-16(13)20/h1-8H,9-12H2
InChIKeyPLKXAFKVBYNDHS-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.24
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone

[1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 3377220) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID3377220
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClNO3S/c19-14-5-7-15(8-6-14)24(22,23)18(10-11-18)17(21)20-12-9-13-3-1-2-4-16(13)20/h1-8H,9-12H2
InChIKeyPLKXAFKVBYNDHS-UHFFFAOYSA-N
XLogP3.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone (CID 3377220) is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone is O=C(N1CCc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is PLKXAFKVBYNDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c19-14-5-7-15(8-6-14)24(22,23)18(10-11-18)17(21)20-12-9-13-3-1-2-4-16(13)20/h1-8H,9-12H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 361.85 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3377220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).