2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine

C15H13ClFNO2S — CID 64675129

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2S/c16-12-8-10(5-6-13(12)17)21(19,20)14-7-9-3-1-2-4-11(9)15(14)18/h1-6,8,14-15H,7,18H2
InChIKeyRKHCHQNGDFEDBV-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine

2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64675129) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64675129
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2S/c16-12-8-10(5-6-13(12)17)21(19,20)14-7-9-3-1-2-4-11(9)15(14)18/h1-6,8,14-15H,7,18H2
InChIKeyRKHCHQNGDFEDBV-UHFFFAOYSA-N
XLogP2.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine (CID 64675129) is 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RKHCHQNGDFEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c16-12-8-10(5-6-13(12)17)21(19,20)14-7-9-3-1-2-4-11(9)15(14)18/h1-6,8,14-15H,7,18H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 325.79 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64675129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).