4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

C18H16FN3O4S2 — CID 41159236

IUPAC4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)ccc1F
InChIInChI=1S/C18H16FN3O4S2/c1-12-10-15(6-7-16(12)19)28(25,26)22-14-5-3-4-13(11-14)17-8-9-18(21-20-17)27(2,23)24/h3-11,22H,1-2H3
InChIKeyZTTZFJMQDGWABQ-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.80
Rot. Bonds5

About 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 41159236) has the molecular formula C18H16FN3O4S2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID41159236
Molecular FormulaC18H16FN3O4S2
Molecular Weight421.48 g/mol
Exact Mass421.06
IUPAC Name4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)ccc1F
InChIInChI=1S/C18H16FN3O4S2/c1-12-10-15(6-7-16(12)19)28(25,26)22-14-5-3-4-13(11-14)17-8-9-18(21-20-17)27(2,23)24/h3-11,22H,1-2H3
InChIKeyZTTZFJMQDGWABQ-UHFFFAOYSA-N
XLogP2.80
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 41159236) is 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is ZTTZFJMQDGWABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S2/c1-12-10-15(6-7-16(12)19)28(25,26)22-14-5-3-4-13(11-14)17-8-9-18(21-20-17)27(2,23)24/h3-11,22H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41159236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).