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

C21H25N3O3S — CID 51147421

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H25N3O3S/c1-16-14-17-6-3-4-9-20(17)24(16)21(25)18-7-5-8-19(15-18)28(26,27)23-12-10-22(2)11-13-23/h3-9,15-16H,10-14H2,1-2H3
InChIKeySOBIALBXTOAQLX-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.21
Rot. Bonds3

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

(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone (PubChem CID 51147421) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
PubChem CID51147421
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H25N3O3S/c1-16-14-17-6-3-4-9-20(17)24(16)21(25)18-7-5-8-19(15-18)28(26,27)23-12-10-22(2)11-13-23/h3-9,15-16H,10-14H2,1-2H3
InChIKeySOBIALBXTOAQLX-UHFFFAOYSA-N
XLogP2.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
[(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
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
N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
(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
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone (CID 51147421) is (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone is CC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
The InChIKey is SOBIALBXTOAQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-14-17-6-3-4-9-20(17)24(16)21(25)18-7-5-8-19(15-18)28(26,27)23-12-10-22(2)11-13-23/h3-9,15-16H,10-14H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone has a molecular weight of 399.52 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 51147421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).