2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone

C22H20N2O3S — CID 102013662

IUPAC2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone
SMILESCC1(CC(=O)c2ccccn2)CN(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H20N2O3S/c1-22(15-21(25)19-12-7-8-14-23-19)16-24(20-13-6-5-11-18(20)22)28(26,27)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3
InChIKeyKSNQMHGQZWWCIW-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.82
Rot. Bonds5

About 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone

2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone (PubChem CID 102013662) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone
PubChem CID102013662
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone
SMILESCC1(CC(=O)c2ccccn2)CN(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H20N2O3S/c1-22(15-21(25)19-12-7-8-14-23-19)16-24(20-13-6-5-11-18(20)22)28(26,27)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3
InChIKeyKSNQMHGQZWWCIW-UHFFFAOYSA-N
XLogP3.82
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid
CID 135377645
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylselanyl-2H-indole
CID 102407362
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
(3S)-1-(azepan-1-ylmethyl)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 40771694
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
CID 7281333
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7270818
ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate
CID 2927588
1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]
CID 14931608
1-[4-(difluoromethyl)phenyl]sulfonyl-1'-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]
CID 170540859
2-(4-methylsulfonylphenyl)-1-pyridin-2-ylethanone
CID 22350079

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone (CID 102013662) is 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone is CC1(CC(=O)c2ccccn2)CN(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone?
The InChIKey is KSNQMHGQZWWCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-22(15-21(25)19-12-7-8-14-23-19)16-24(20-13-6-5-11-18(20)22)28(26,27)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone?
2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone has a molecular weight of 392.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]-1-pyridin-2-ylethanone is sourced from PubChem (CID 102013662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).