1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine

C16H18N2O2S — CID 114456098

IUPAC1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3cccc(N)c32)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-6-7-15(12(2)10-11)21(19,20)18-9-8-13-4-3-5-14(17)16(13)18/h3-7,10H,8-9,17H2,1-2H3
InChIKeyQWFXGGDHAYHCLG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.64
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine

1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine (PubChem CID 114456098) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
PubChem CID114456098
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3cccc(N)c32)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-6-7-15(12(2)10-11)21(19,20)18-9-8-13-4-3-5-14(17)16(13)18/h3-7,10H,8-9,17H2,1-2H3
InChIKeyQWFXGGDHAYHCLG-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole
CID 151199471
1-methyl-3-methylidene-N-(2-piperidin-1-ylphenyl)-2,1-benzothiazole-5-sulfonamide
CID 50997755
N-[2-(2,3-Dihydro-1H-indol-1-YL)-2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16028357
1-(3-hexylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 44298849
1-(Benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole
CID 155542198
1-(Benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-(Benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
CID 155559811
1-(Mesitylsulfonyl)indoline
CID 669094
2-Methyl-1-[(4-methylphenyl)sulfonyl]indoline
CID 4205010
1-(4-Tert-butylphenyl)sulfonyl-2,3-dihydroindole
CID 2163081
1-(4-Tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750552

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine (CID 114456098) is 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine is Cc1ccc(S(=O)(=O)N2CCc3cccc(N)c32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The InChIKey is QWFXGGDHAYHCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-6-7-15(12(2)10-11)21(19,20)18-9-8-13-4-3-5-14(17)16(13)18/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine has a molecular weight of 302.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).