1-phenyl-N-quinolin-5-ylmethanesulfonamide

C16H14N2O2S — CID 35282433

IUPAC1-phenyl-N-quinolin-5-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc2ncccc12
InChIInChI=1S/C16H14N2O2S/c19-21(20,12-13-6-2-1-3-7-13)18-16-10-4-9-15-14(16)8-5-11-17-15/h1-11,18H,12H2
InChIKeyPVPOTFAMNXPOEU-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.18
Rot. Bonds4

About 1-phenyl-N-quinolin-5-ylmethanesulfonamide

1-phenyl-N-quinolin-5-ylmethanesulfonamide (PubChem CID 35282433) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-phenyl-N-quinolin-5-ylmethanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-quinolin-5-ylmethanesulfonamide
PubChem CID35282433
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name1-phenyl-N-quinolin-5-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc2ncccc12
InChIInChI=1S/C16H14N2O2S/c19-21(20,12-13-6-2-1-3-7-13)18-16-10-4-9-15-14(16)8-5-11-17-15/h1-11,18H,12H2
InChIKeyPVPOTFAMNXPOEU-UHFFFAOYSA-N
XLogP3.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-quinolin-5-ylmethanesulfonamide?
The IUPAC name of 1-phenyl-N-quinolin-5-ylmethanesulfonamide (CID 35282433) is 1-phenyl-N-quinolin-5-ylmethanesulfonamide.
What is the SMILES notation for 1-phenyl-N-quinolin-5-ylmethanesulfonamide?
The canonical SMILES for 1-phenyl-N-quinolin-5-ylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cccc2ncccc12.
What is the InChIKey of 1-phenyl-N-quinolin-5-ylmethanesulfonamide?
The InChIKey is PVPOTFAMNXPOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-21(20,12-13-6-2-1-3-7-13)18-16-10-4-9-15-14(16)8-5-11-17-15/h1-11,18H,12H2.
What are the key properties of 1-phenyl-N-quinolin-5-ylmethanesulfonamide?
1-phenyl-N-quinolin-5-ylmethanesulfonamide has a molecular weight of 298.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-quinolin-5-ylmethanesulfonamide is sourced from PubChem (CID 35282433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).