[7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid

C16H15FN4O6S — CID 118163622

IUPAC[7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid
SMILESO=C(O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(NC(=O)O)C2
InChIInChI=1S/C16H15FN4O6S/c17-9-1-3-12(4-2-9)28(26,27)21-8-11(20-16(24)25)5-13-14(21)6-10(7-18-13)19-15(22)23/h1-4,6-7,11,19-20H,5,8H2,(H,22,23)(H,24,25)
InChIKeyFPSXCXCHWBSFDZ-UHFFFAOYSA-N
MW410.38 g/mol
LogP1.70
Rot. Bonds4

About [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid

[7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid (PubChem CID 118163622) has the molecular formula C16H15FN4O6S and a molecular weight of 410.38 g/mol. Its IUPAC name is [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid.

Molecular Properties

Compound Name[7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid
PubChem CID118163622
Molecular FormulaC16H15FN4O6S
Molecular Weight410.38 g/mol
Exact Mass410.07
IUPAC Name[7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid
SMILESO=C(O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(NC(=O)O)C2
InChIInChI=1S/C16H15FN4O6S/c17-9-1-3-12(4-2-9)28(26,27)21-8-11(20-16(24)25)5-13-14(21)6-10(7-18-13)19-15(22)23/h1-4,6-7,11,19-20H,5,8H2,(H,22,23)(H,24,25)
InChIKeyFPSXCXCHWBSFDZ-UHFFFAOYSA-N
XLogP1.70
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid?
The IUPAC name of [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid (CID 118163622) is [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid.
What is the SMILES notation for [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid?
The canonical SMILES for [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid is O=C(O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(NC(=O)O)C2.
What is the InChIKey of [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid?
The InChIKey is FPSXCXCHWBSFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O6S/c17-9-1-3-12(4-2-9)28(26,27)21-8-11(20-16(24)25)5-13-14(21)6-10(7-18-13)19-15(22)23/h1-4,6-7,11,19-20H,5,8H2,(H,22,23)(H,24,25).
What are the key properties of [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid?
[7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid has a molecular weight of 410.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid is sourced from PubChem (CID 118163622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).