[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid

C15H14FN3O5S — CID 118163463

IUPAC[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
SMILESO=C(O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(O)C2
InChIInChI=1S/C15H14FN3O5S/c16-9-1-3-12(4-2-9)25(23,24)19-8-11(20)6-13-14(19)5-10(7-17-13)18-15(21)22/h1-5,7,11,18,20H,6,8H2,(H,21,22)
InChIKeyAAYJYJLYWDHDNN-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.42
Rot. Bonds3

About [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid

[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid (PubChem CID 118163463) has the molecular formula C15H14FN3O5S and a molecular weight of 367.36 g/mol. Its IUPAC name is [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
PubChem CID118163463
Molecular FormulaC15H14FN3O5S
Molecular Weight367.36 g/mol
Exact Mass367.06
IUPAC Name[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
SMILESO=C(O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(O)C2
InChIInChI=1S/C15H14FN3O5S/c16-9-1-3-12(4-2-9)25(23,24)19-8-11(20)6-13-14(19)5-10(7-17-13)18-15(21)22/h1-5,7,11,18,20H,6,8H2,(H,21,22)
InChIKeyAAYJYJLYWDHDNN-UHFFFAOYSA-N
XLogP1.42
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
The IUPAC name of [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid (CID 118163463) is [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid.
What is the SMILES notation for [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
The canonical SMILES for [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid is O=C(O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(O)C2.
What is the InChIKey of [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
The InChIKey is AAYJYJLYWDHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5S/c16-9-1-3-12(4-2-9)25(23,24)19-8-11(20)6-13-14(19)5-10(7-17-13)18-15(21)22/h1-5,7,11,18,20H,6,8H2,(H,21,22).
What are the key properties of [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid has a molecular weight of 367.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid is sourced from PubChem (CID 118163463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).