3-(4-methylphenyl)sulfonylquinolin-2-amine

C16H14N2O2S — CID 1478074

IUPAC3-(4-methylphenyl)sulfonylquinolin-2-amine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3nc2N)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-6-8-13(9-7-11)21(19,20)15-10-12-4-2-3-5-14(12)18-16(15)17/h2-10H,1H3,(H2,17,18)
InChIKeySRVSOPAGFZARNJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.96
Rot. Bonds2

About 3-(4-methylphenyl)sulfonylquinolin-2-amine

3-(4-methylphenyl)sulfonylquinolin-2-amine (PubChem CID 1478074) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonylquinolin-2-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonylquinolin-2-amine
PubChem CID1478074
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3-(4-methylphenyl)sulfonylquinolin-2-amine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3nc2N)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-6-8-13(9-7-11)21(19,20)15-10-12-4-2-3-5-14(12)18-16(15)17/h2-10H,1H3,(H2,17,18)
InChIKeySRVSOPAGFZARNJ-UHFFFAOYSA-N
XLogP2.96
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonylquinolin-2-amine?
The IUPAC name of 3-(4-methylphenyl)sulfonylquinolin-2-amine (CID 1478074) is 3-(4-methylphenyl)sulfonylquinolin-2-amine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonylquinolin-2-amine?
The canonical SMILES for 3-(4-methylphenyl)sulfonylquinolin-2-amine is Cc1ccc(S(=O)(=O)c2cc3ccccc3nc2N)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonylquinolin-2-amine?
The InChIKey is SRVSOPAGFZARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-6-8-13(9-7-11)21(19,20)15-10-12-4-2-3-5-14(12)18-16(15)17/h2-10H,1H3,(H2,17,18).
What are the key properties of 3-(4-methylphenyl)sulfonylquinolin-2-amine?
3-(4-methylphenyl)sulfonylquinolin-2-amine has a molecular weight of 298.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonylquinolin-2-amine is sourced from PubChem (CID 1478074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).