1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine

C15H15FN2O2S — CID 43551065

IUPAC1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
SMILESCC1Cc2cc(N)ccc2N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c1-10-8-11-9-12(17)6-7-14(11)18(10)21(19,20)15-5-3-2-4-13(15)16/h2-7,9-10H,8,17H2,1H3
InChIKeyZKRUNJBDCMQJDV-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds2

About 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine

1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine (PubChem CID 43551065) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
PubChem CID43551065
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
SMILESCC1Cc2cc(N)ccc2N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c1-10-8-11-9-12(17)6-7-14(11)18(10)21(19,20)15-5-3-2-4-13(15)16/h2-7,9-10H,8,17H2,1H3
InChIKeyZKRUNJBDCMQJDV-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
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-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine (CID 43551065) is 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine is CC1Cc2cc(N)ccc2N1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine?
The InChIKey is ZKRUNJBDCMQJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-8-11-9-12(17)6-7-14(11)18(10)21(19,20)15-5-3-2-4-13(15)16/h2-7,9-10H,8,17H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine?
1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine has a molecular weight of 306.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 43551065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).