[1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

C28H28N2O4S — CID 166197260

IUPAC[1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C28H28N2O4S/c31-27(24-9-6-7-21(19-24)20-35(33,34)25-10-2-1-3-11-25)29-16-13-23(14-17-29)28(32)30-18-15-22-8-4-5-12-26(22)30/h1-12,19,23H,13-18,20H2
InChIKeyHCIIHHKBAMFYIX-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.10
Rot. Bonds5

About [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

[1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 166197260) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID166197260
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC Name[1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C28H28N2O4S/c31-27(24-9-6-7-21(19-24)20-35(33,34)25-10-2-1-3-11-25)29-16-13-23(14-17-29)28(32)30-18-15-22-8-4-5-12-26(22)30/h1-12,19,23H,13-18,20H2
InChIKeyHCIIHHKBAMFYIX-UHFFFAOYSA-N
XLogP4.10
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(benzenesulfonylmethyl)phenyl]-piperazin-1-ylmethanone
CID 119403801
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
2,3-dihydroindol-1-yl-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 38006990
[3-(benzenesulfonylmethyl)phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119639320
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
4-[3-(benzenesulfonylmethyl)benzoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55828071
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
[3-(benzenesulfonylmethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55770937
[3-(benzenesulfonylmethyl)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620529
[3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 46492077
2,3-dihydroindol-1-yl-[1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53074769
2-[2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 138002006

Frequently Asked Questions

What is the IUPAC name of [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 166197260) is [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC(C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HCIIHHKBAMFYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c31-27(24-9-6-7-21(19-24)20-35(33,34)25-10-2-1-3-11-25)29-16-13-23(14-17-29)28(32)30-18-15-22-8-4-5-12-26(22)30/h1-12,19,23H,13-18,20H2.
What are the key properties of [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 488.61 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(benzenesulfonylmethyl)benzoyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 166197260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).