N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide

C27H24FN3O2S — CID 58670127

IUPACN-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@@H]1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1)c1cccc(F)c1
InChIInChI=1S/C27H24FN3O2S/c28-22-12-7-13-24(16-22)34(32,33)30-23-17-26-27(31(19-23)18-20-8-3-1-4-9-20)15-14-25(29-26)21-10-5-2-6-11-21/h1-16,23,30H,17-19H2/t23-/m1/s1
InChIKeyLKECXBCSCZDXTQ-HSZRJFAPSA-N
MW473.57 g/mol
LogP4.80
Rot. Bonds6

About N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide

N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide (PubChem CID 58670127) has the molecular formula C27H24FN3O2S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide
PubChem CID58670127
Molecular FormulaC27H24FN3O2S
Molecular Weight473.57 g/mol
Exact Mass473.16
IUPAC NameN-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@@H]1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1)c1cccc(F)c1
InChIInChI=1S/C27H24FN3O2S/c28-22-12-7-13-24(16-22)34(32,33)30-23-17-26-27(31(19-23)18-20-8-3-1-4-9-20)15-14-25(29-26)21-10-5-2-6-11-21/h1-16,23,30H,17-19H2/t23-/m1/s1
InChIKeyLKECXBCSCZDXTQ-HSZRJFAPSA-N
XLogP4.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide (CID 58670127) is N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide is O=S(=O)(N[C@@H]1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1)c1cccc(F)c1.
What is the InChIKey of N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide?
The InChIKey is LKECXBCSCZDXTQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H24FN3O2S/c28-22-12-7-13-24(16-22)34(32,33)30-23-17-26-27(31(19-23)18-20-8-3-1-4-9-20)15-14-25(29-26)21-10-5-2-6-11-21/h1-16,23,30H,17-19H2/t23-/m1/s1.
What are the key properties of N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide?
N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide has a molecular weight of 473.57 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 58670127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).