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

C17H13ClFN3O4S2 — CID 18569044

IUPAC3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)nn1
InChIInChI=1S/C17H13ClFN3O4S2/c1-27(23,24)17-8-7-16(20-21-17)11-3-2-4-12(9-11)22-28(25,26)13-5-6-15(19)14(18)10-13/h2-10,22H,1H3
InChIKeyUWTRDJMIWQTESG-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.14
Rot. Bonds5

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

3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 18569044) has the molecular formula C17H13ClFN3O4S2 and a molecular weight of 441.89 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID18569044
Molecular FormulaC17H13ClFN3O4S2
Molecular Weight441.89 g/mol
Exact Mass441.00
IUPAC Name3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)nn1
InChIInChI=1S/C17H13ClFN3O4S2/c1-27(23,24)17-8-7-16(20-21-17)11-3-2-4-12(9-11)22-28(25,26)13-5-6-15(19)14(18)10-13/h2-10,22H,1H3
InChIKeyUWTRDJMIWQTESG-UHFFFAOYSA-N
XLogP3.14
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 18569044) is 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)nn1.
What is the InChIKey of 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is UWTRDJMIWQTESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O4S2/c1-27(23,24)17-8-7-16(20-21-17)11-3-2-4-12(9-11)22-28(25,26)13-5-6-15(19)14(18)10-13/h2-10,22H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 441.89 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18569044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).