[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C23H21NO3S — CID 55752569

IUPAC[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-17-15-20-7-5-6-10-22(20)24(17)23(25)19-13-11-18(12-14-19)16-28(26,27)21-8-3-2-4-9-21/h2-14,17H,15-16H2,1H3
InChIKeyGISSQUUMAYOJBK-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.25
Rot. Bonds4

About [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 55752569) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID55752569
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-17-15-20-7-5-6-10-22(20)24(17)23(25)19-13-11-18(12-14-19)16-28(26,27)21-8-3-2-4-9-21/h2-14,17H,15-16H2,1H3
InChIKeyGISSQUUMAYOJBK-UHFFFAOYSA-N
XLogP4.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 132673892
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 55523351
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[6-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]-phenylmethanone
CID 50742595
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 55752569) is [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is GISSQUUMAYOJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-17-15-20-7-5-6-10-22(20)24(17)23(25)19-13-11-18(12-14-19)16-28(26,27)21-8-3-2-4-9-21/h2-14,17H,15-16H2,1H3.
What are the key properties of [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 391.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55752569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).