(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

C22H26N2O3S — CID 109063460

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1
InChIInChI=1S/C22H26N2O3S/c1-16-10-12-23(13-11-16)28(26,27)20-8-5-7-19(15-20)22(25)24-17(2)14-18-6-3-4-9-21(18)24/h3-9,15-17H,10-14H2,1-2H3
InChIKeyNBIZCOPDZCPELD-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.70
Rot. Bonds3

About (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 109063460) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID109063460
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1
InChIInChI=1S/C22H26N2O3S/c1-16-10-12-23(13-11-16)28(26,27)20-8-5-7-19(15-20)22(25)24-17(2)14-18-6-3-4-9-21(18)24/h3-9,15-17H,10-14H2,1-2H3
InChIKeyNBIZCOPDZCPELD-UHFFFAOYSA-N
XLogP3.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 25392039
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 42979614
4-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109063450
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 109063460) is (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone is CC1CCN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is NBIZCOPDZCPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-16-10-12-23(13-11-16)28(26,27)20-8-5-7-19(15-20)22(25)24-17(2)14-18-6-3-4-9-21(18)24/h3-9,15-17H,10-14H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 398.53 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 109063460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).