3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline

C16H18N2O2S — CID 43452427

IUPAC3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
SMILESCc1cccc(N)c1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H18N2O2S/c1-11-6-5-8-14(17)16(11)21(19,20)18-12(2)10-13-7-3-4-9-15(13)18/h3-9,12H,10,17H2,1-2H3
InChIKeyTWZZSAWCAFIHRU-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.72
Rot. Bonds2

About 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline

3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline (PubChem CID 43452427) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline.

Molecular Properties

Compound Name3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
PubChem CID43452427
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
SMILESCc1cccc(N)c1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H18N2O2S/c1-11-6-5-8-14(17)16(11)21(19,20)18-12(2)10-13-7-3-4-9-15(13)18/h3-9,12H,10,17H2,1-2H3
InChIKeyTWZZSAWCAFIHRU-UHFFFAOYSA-N
XLogP2.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline 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-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 6624083
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
4-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63945978
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 27332586
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884
1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine
CID 63977911
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115550530

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
The IUPAC name of 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline (CID 43452427) is 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline.
What is the SMILES notation for 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
The canonical SMILES for 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline is Cc1cccc(N)c1S(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
The InChIKey is TWZZSAWCAFIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-6-5-8-14(17)16(11)21(19,20)18-12(2)10-13-7-3-4-9-15(13)18/h3-9,12H,10,17H2,1-2H3.
What are the key properties of 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline has a molecular weight of 302.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline is sourced from PubChem (CID 43452427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).