3-(benzenesulfonyl)quinolin-2-amine

C15H12N2O2S — CID 1478076

IUPAC3-(benzenesulfonyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c16-15-14(10-11-6-4-5-9-13(11)17-15)20(18,19)12-7-2-1-3-8-12/h1-10H,(H2,16,17)
InChIKeyNDRCNBOULJLYJP-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.65
Rot. Bonds2

About 3-(benzenesulfonyl)quinolin-2-amine

3-(benzenesulfonyl)quinolin-2-amine (PubChem CID 1478076) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)quinolin-2-amine
PubChem CID1478076
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-(benzenesulfonyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c16-15-14(10-11-6-4-5-9-13(11)17-15)20(18,19)12-7-2-1-3-8-12/h1-10H,(H2,16,17)
InChIKeyNDRCNBOULJLYJP-UHFFFAOYSA-N
XLogP2.65
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)quinolin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)quinolin-2-amine (CID 1478076) is 3-(benzenesulfonyl)quinolin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)quinolin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)quinolin-2-amine is Nc1nc2ccccc2cc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)quinolin-2-amine?
The InChIKey is NDRCNBOULJLYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-15-14(10-11-6-4-5-9-13(11)17-15)20(18,19)12-7-2-1-3-8-12/h1-10H,(H2,16,17).
What are the key properties of 3-(benzenesulfonyl)quinolin-2-amine?
3-(benzenesulfonyl)quinolin-2-amine has a molecular weight of 284.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)quinolin-2-amine is sourced from PubChem (CID 1478076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).