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

C15H15FN4O4S — CID 118163263

IUPAC[7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
SMILESNC1Cc2ncc(NC(=O)O)cc2N(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O4S/c16-9-1-3-12(4-2-9)25(23,24)20-8-10(17)5-13-14(20)6-11(7-18-13)19-15(21)22/h1-4,6-7,10,19H,5,8,17H2,(H,21,22)
InChIKeyGGCILYNHTSSIJV-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.39
Rot. Bonds3

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

[7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid (PubChem CID 118163263) has the molecular formula C15H15FN4O4S and a molecular weight of 366.37 g/mol. Its IUPAC name is [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid.

Molecular Properties

Compound Name[7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
PubChem CID118163263
Molecular FormulaC15H15FN4O4S
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name[7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
SMILESNC1Cc2ncc(NC(=O)O)cc2N(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O4S/c16-9-1-3-12(4-2-9)25(23,24)20-8-10(17)5-13-14(20)6-11(7-18-13)19-15(21)22/h1-4,6-7,10,19H,5,8,17H2,(H,21,22)
InChIKeyGGCILYNHTSSIJV-UHFFFAOYSA-N
XLogP1.39
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123502628
benzyl N-[5-(4-fluorophenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
CID 118185251
2,2-dimethylpropyl N-[5-(4-fluorophenyl)sulfonyl-7-(2-oxopyrrolidin-1-yl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
CID 118187614
[2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122614689
[2-[(cyclopropylsulfonylamino)methyl]-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 118164877
[4-(4-fluorophenyl)sulfonyl-2-[(pyridin-3-ylsulfonylamino)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122615977
[4-(4-fluorophenyl)sulfonyl-2-[(oxetane-3-carbonylamino)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122616072
[2-(benzenesulfonamidomethyl)-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122616133
[2-(2-acetamidoethyl)-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122614908
[(2S)-2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122616245
[(2S)-2-[[(2-amino-3,3,3-trifluoropropanoyl)amino]methyl]-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122616162
[4-(4-fluorophenyl)sulfonyl-2-[(furan-2-carbonylamino)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid
CID 122616107

Frequently Asked Questions

What is the IUPAC name of [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
The IUPAC name of [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid (CID 118163263) is [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid.
What is the SMILES notation for [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
The canonical SMILES for [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid is NC1Cc2ncc(NC(=O)O)cc2N(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
The InChIKey is GGCILYNHTSSIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4S/c16-9-1-3-12(4-2-9)25(23,24)20-8-10(17)5-13-14(20)6-11(7-18-13)19-15(21)22/h1-4,6-7,10,19H,5,8,17H2,(H,21,22).
What are the key properties of [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid?
[7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid has a molecular weight of 366.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid is sourced from PubChem (CID 118163263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).