5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide

C18H16FN3O4S — CID 16831419

IUPAC5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C18H16FN3O4S/c1-22-18(23)9-7-15(20-22)12-4-3-5-14(10-12)21-27(24,25)17-11-13(19)6-8-16(17)26-2/h3-11,21H,1-2H3
InChIKeyXJEDBAOCQLUJNR-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.40
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 16831419) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID16831419
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C18H16FN3O4S/c1-22-18(23)9-7-15(20-22)12-4-3-5-14(10-12)21-27(24,25)17-11-13(19)6-8-16(17)26-2/h3-11,21H,1-2H3
InChIKeyXJEDBAOCQLUJNR-UHFFFAOYSA-N
XLogP2.40
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037099
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904
2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
CID 16824987
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 100771142
2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595924
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide (CID 16831419) is 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is XJEDBAOCQLUJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-22-18(23)9-7-15(20-22)12-4-3-5-14(10-12)21-27(24,25)17-11-13(19)6-8-16(17)26-2/h3-11,21H,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 389.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16831419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).