1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole

C16H17NO3S — CID 2226308

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C16H17NO3S/c1-12-11-14(7-8-16(12)20-2)21(18,19)17-10-9-13-5-3-4-6-15(13)17/h3-8,11H,9-10H2,1-2H3
InChIKeyMOBXHKDKYFECJL-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.76
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole

1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 2226308) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID2226308
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C16H17NO3S/c1-12-11-14(7-8-16(12)20-2)21(18,19)17-10-9-13-5-3-4-6-15(13)17/h3-8,11H,9-10H2,1-2H3
InChIKeyMOBXHKDKYFECJL-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole 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-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110758239
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555218
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
(4-acetylphenyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2710037

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole (CID 2226308) is 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is MOBXHKDKYFECJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-11-14(7-8-16(12)20-2)21(18,19)17-10-9-13-5-3-4-6-15(13)17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole?
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 303.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 2226308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).