5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine

C15H12F2N4O3S — CID 164563698

IUPAC5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
SMILESNS(=O)(=O)NCc1cc(F)c(-c2ccnc3[nH]c(=O)ccc23)c(F)c1
InChIInChI=1S/C15H12F2N4O3S/c16-11-5-8(7-20-25(18,23)24)6-12(17)14(11)9-3-4-19-15-10(9)1-2-13(22)21-15/h1-6,20H,7H2,(H2,18,23,24)(H,19,21,22)
InChIKeyBONMQKAEVLSJCP-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.16
Rot. Bonds4

About 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine

5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine (PubChem CID 164563698) has the molecular formula C15H12F2N4O3S and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine.

Molecular Properties

Compound Name5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
PubChem CID164563698
Molecular FormulaC15H12F2N4O3S
Molecular Weight366.35 g/mol
Exact Mass366.06
IUPAC Name5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
SMILESNS(=O)(=O)NCc1cc(F)c(-c2ccnc3[nH]c(=O)ccc23)c(F)c1
InChIInChI=1S/C15H12F2N4O3S/c16-11-5-8(7-20-25(18,23)24)6-12(17)14(11)9-3-4-19-15-10(9)1-2-13(22)21-15/h1-6,20H,7H2,(H2,18,23,24)(H,19,21,22)
InChIKeyBONMQKAEVLSJCP-UHFFFAOYSA-N
XLogP1.16
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 170349620
5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one
CID 171456884
5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 164563700
5-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349595
5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
CID 164563738
5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
CID 164563669
5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563764
tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
CID 164563691
tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563752
5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563801
5-ethenyl-1H-1,8-naphthyridin-2-one
CID 91107256
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63809390

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The IUPAC name of 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine (CID 164563698) is 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine.
What is the SMILES notation for 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The canonical SMILES for 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine is NS(=O)(=O)NCc1cc(F)c(-c2ccnc3[nH]c(=O)ccc23)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
The InChIKey is BONMQKAEVLSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3S/c16-11-5-8(7-20-25(18,23)24)6-12(17)14(11)9-3-4-19-15-10(9)1-2-13(22)21-15/h1-6,20H,7H2,(H2,18,23,24)(H,19,21,22).
What are the key properties of 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine?
5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine has a molecular weight of 366.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine is sourced from PubChem (CID 164563698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).