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

C15H16N2O3S — CID 24748254

IUPAC1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(N)c32)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-12-5-7-13(8-6-12)21(18,19)17-10-9-11-3-2-4-14(16)15(11)17/h2-8H,9-10,16H2,1H3
InChIKeyUADZURREYBYPFN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.03
Rot. Bonds3

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

1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine (PubChem CID 24748254) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine
PubChem CID24748254
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(N)c32)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-12-5-7-13(8-6-12)21(18,19)17-10-9-11-3-2-4-14(16)15(11)17/h2-8H,9-10,16H2,1H3
InChIKeyUADZURREYBYPFN-UHFFFAOYSA-N
XLogP2.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine (CID 24748254) is 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine is COc1ccc(S(=O)(=O)N2CCc3cccc(N)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The InChIKey is UADZURREYBYPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-12-5-7-13(8-6-12)21(18,19)17-10-9-11-3-2-4-14(16)15(11)17/h2-8H,9-10,16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine?
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine has a molecular weight of 304.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-amine is sourced from PubChem (CID 24748254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).