1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine

C16H18N2O2S — CID 28707117

IUPAC1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(N)cc32)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-3-6-16(12(2)9-11)21(19,20)18-8-7-13-4-5-14(17)10-15(13)18/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyYTBRCNWWEMCSRV-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.64
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine

1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine (PubChem CID 28707117) 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-6-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
PubChem CID28707117
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(N)cc32)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-3-6-16(12(2)9-11)21(19,20)18-8-7-13-4-5-14(17)10-15(13)18/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyYTBRCNWWEMCSRV-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine (CID 28707117) is 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine is Cc1ccc(S(=O)(=O)N2CCc3ccc(N)cc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine?
The InChIKey is YTBRCNWWEMCSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-3-6-16(12(2)9-11)21(19,20)18-8-7-13-4-5-14(17)10-15(13)18/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine?
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-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-6-amine is sourced from PubChem (CID 28707117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).