[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

C23H26ClN3O3S — CID 20901635

IUPAC[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESCC1Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C23H26ClN3O3S/c1-16-13-18-14-21(7-8-22(18)27(16)23(28)17-5-6-17)31(29,30)26-11-9-25(10-12-26)20-4-2-3-19(24)15-20/h2-4,7-8,14-17H,5-6,9-13H2,1H3
InChIKeyRRTOMQXCJHZFOV-UHFFFAOYSA-N
MW460.00 g/mol
LogP3.54
Rot. Bonds4

About [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone (PubChem CID 20901635) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
PubChem CID20901635
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC Name[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESCC1Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C23H26ClN3O3S/c1-16-13-18-14-21(7-8-22(18)27(16)23(28)17-5-6-17)31(29,30)26-11-9-25(10-12-26)20-4-2-3-19(24)15-20/h2-4,7-8,14-17H,5-6,9-13H2,1H3
InChIKeyRRTOMQXCJHZFOV-UHFFFAOYSA-N
XLogP3.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The IUPAC name of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone (CID 20901635) is [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone is CC1Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1C(=O)C1CC1.
What is the InChIKey of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The InChIKey is RRTOMQXCJHZFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c1-16-13-18-14-21(7-8-22(18)27(16)23(28)17-5-6-17)31(29,30)26-11-9-25(10-12-26)20-4-2-3-19(24)15-20/h2-4,7-8,14-17H,5-6,9-13H2,1H3.
What are the key properties of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone has a molecular weight of 460.00 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 20901635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).