1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine

C16H18N2O2S — CID 114456013

IUPAC1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCc1cc(C)cc(S(=O)(=O)N2CCc3cccc(N)c32)c1
InChIInChI=1S/C16H18N2O2S/c1-11-8-12(2)10-14(9-11)21(19,20)18-7-6-13-4-3-5-15(17)16(13)18/h3-5,8-10H,6-7,17H2,1-2H3
InChIKeyKIYYZNOQPQDYOL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.64
Rot. Bonds2

About 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine

1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine (PubChem CID 114456013) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
PubChem CID114456013
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCc1cc(C)cc(S(=O)(=O)N2CCc3cccc(N)c32)c1
InChIInChI=1S/C16H18N2O2S/c1-11-8-12(2)10-14(9-11)21(19,20)18-7-6-13-4-3-5-15(17)16(13)18/h3-5,8-10H,6-7,17H2,1-2H3
InChIKeyKIYYZNOQPQDYOL-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-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine (CID 114456013) is 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine is Cc1cc(C)cc(S(=O)(=O)N2CCc3cccc(N)c32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The InChIKey is KIYYZNOQPQDYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-8-12(2)10-14(9-11)21(19,20)18-7-6-13-4-3-5-15(17)16(13)18/h3-5,8-10H,6-7,17H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
1-(3,5-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-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).