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

C21H23ClN2O3S — CID 92679158

IUPAC[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H23ClN2O3S/c22-19-7-5-16(6-8-19)15-28(26,27)23-12-9-18(10-13-23)21(25)24-14-11-17-3-1-2-4-20(17)24/h1-8,18H,9-15H2
InChIKeyCEJBMQSBVVYXBA-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.47
Rot. Bonds4

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

[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 92679158) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID92679158
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H23ClN2O3S/c22-19-7-5-16(6-8-19)15-28(26,27)23-12-9-18(10-13-23)21(25)24-14-11-17-3-1-2-4-20(17)24/h1-8,18H,9-15H2
InChIKeyCEJBMQSBVVYXBA-UHFFFAOYSA-N
XLogP3.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 38006990
[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 164610929
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43886859
1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 75357606
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 92679158) is [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is CEJBMQSBVVYXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c22-19-7-5-16(6-8-19)15-28(26,27)23-12-9-18(10-13-23)21(25)24-14-11-17-3-1-2-4-20(17)24/h1-8,18H,9-15H2.
What are the key properties of [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 418.95 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 92679158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).