5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine

C16H15FN4O3S — CID 164563700

IUPAC5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
SMILESCN(Cc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1F)S(N)(=O)=O
InChIInChI=1S/C16H15FN4O3S/c1-21(25(18,23)24)9-11-3-2-10(8-14(11)17)12-6-7-19-16-13(12)4-5-15(22)20-16/h2-8H,9H2,1H3,(H2,18,23,24)(H,19,20,22)
InChIKeyOWAFQIUXKBVILI-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.36
Rot. Bonds4

About 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine

5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine (PubChem CID 164563700) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine.

Molecular Properties

Compound Name5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
PubChem CID164563700
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
SMILESCN(Cc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1F)S(N)(=O)=O
InChIInChI=1S/C16H15FN4O3S/c1-21(25(18,23)24)9-11-3-2-10(8-14(11)17)12-6-7-19-16-13(12)4-5-15(22)20-16/h2-8H,9H2,1H3,(H2,18,23,24)(H,19,20,22)
InChIKeyOWAFQIUXKBVILI-UHFFFAOYSA-N
XLogP1.36
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
CID 164563669
5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 164563698
5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
CID 164563738
5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one
CID 171456884
5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563764
5-[4-[(1S)-1-[methyl(sulfinato)amino]ethyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349644
4-[2-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(3-aminopropyl)-N-methylbenzenesulfonamide
CID 143647157
5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563801
5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 170349620
1-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-6,7-dimethoxy-4-oxo-1H-phthalazine
CID 169491411
5-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349595
tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563752

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The IUPAC name of 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine (CID 164563700) is 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine.
What is the SMILES notation for 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The canonical SMILES for 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine is CN(Cc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1F)S(N)(=O)=O.
What is the InChIKey of 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The InChIKey is OWAFQIUXKBVILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-21(25(18,23)24)9-11-3-2-10(8-14(11)17)12-6-7-19-16-13(12)4-5-15(22)20-16/h2-8H,9H2,1H3,(H2,18,23,24)(H,19,20,22).
What are the key properties of 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine has a molecular weight of 362.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine is sourced from PubChem (CID 164563700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).