[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C22H24Cl2N2O3S — CID 30389903

IUPAC[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H24Cl2N2O3S/c1-15-13-17-5-2-3-8-21(17)26(15)22(27)16-9-11-25(12-10-16)30(28,29)14-18-19(23)6-4-7-20(18)24/h2-8,15-16H,9-14H2,1H3/t15-/m0/s1
InChIKeyZKXPQJHIWFEGRN-HNNXBMFYSA-N
MW467.42 g/mol
LogP4.51
Rot. Bonds4

About [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 30389903) has the molecular formula C22H24Cl2N2O3S and a molecular weight of 467.42 g/mol. Its IUPAC name is [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID30389903
Molecular FormulaC22H24Cl2N2O3S
Molecular Weight467.42 g/mol
Exact Mass466.09
IUPAC Name[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H24Cl2N2O3S/c1-15-13-17-5-2-3-8-21(17)26(15)22(27)16-9-11-25(12-10-16)30(28,29)14-18-19(23)6-4-7-20(18)24/h2-8,15-16H,9-14H2,1H3/t15-/m0/s1
InChIKeyZKXPQJHIWFEGRN-HNNXBMFYSA-N
XLogP4.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93487789
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 31462088
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43904545
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 92715048
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 34217452
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133189718
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100800165
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910874
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 30389903) is [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is ZKXPQJHIWFEGRN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3S/c1-15-13-17-5-2-3-8-21(17)26(15)22(27)16-9-11-25(12-10-16)30(28,29)14-18-19(23)6-4-7-20(18)24/h2-8,15-16H,9-14H2,1H3/t15-/m0/s1.
What are the key properties of [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 467.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 30389903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).