[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

C18H19BrN2O3S2 — CID 3243865

IUPAC[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H19BrN2O3S2/c19-16-5-6-17(25-16)26(23,24)20-10-7-14(8-11-20)18(22)21-12-9-13-3-1-2-4-15(13)21/h1-6,14H,7-12H2
InChIKeyMFLPFOLXVMEQQD-UHFFFAOYSA-N
MW455.40 g/mol
LogP3.50
Rot. Bonds3

About [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 3243865) has the molecular formula C18H19BrN2O3S2 and a molecular weight of 455.40 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID3243865
Molecular FormulaC18H19BrN2O3S2
Molecular Weight455.40 g/mol
Exact Mass454.00
IUPAC Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H19BrN2O3S2/c19-16-5-6-17(25-16)26(23,24)20-10-7-14(8-11-20)18(22)21-12-9-13-3-1-2-4-15(13)21/h1-6,14H,7-12H2
InChIKeyMFLPFOLXVMEQQD-UHFFFAOYSA-N
XLogP3.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-2-thiophenesulfonamide
CID 3238258
5-bromo-N-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}thiophene-2-sulfonamide
CID 3239931
N-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 3245390
1-{1-[(5-Bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-phenylpiperazine
CID 3640171
[1-(5-Bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3640176
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-3-carbonyl}-4-(2,3-dimethylphenyl)piperazine
CID 15989613
1-[(5-bromothiophen-2-yl)sulfonyl]-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 15989573
1-{3-[(5-Bromothien-2-yl)sulfonyl]propanoyl}indoline
CID 3238964
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 15989575
2-Methyl-1-[3-(thien-2-ylsulfonyl)propanoyl]indoline
CID 3237981

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 3243865) is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21.
What is the InChIKey of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is MFLPFOLXVMEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S2/c19-16-5-6-17(25-16)26(23,24)20-10-7-14(8-11-20)18(22)21-12-9-13-3-1-2-4-15(13)21/h1-6,14H,7-12H2.
What are the key properties of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 455.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3243865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).