3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

C17H13Cl2N3O4S2 — CID 18569022

IUPAC3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)nn1
InChIInChI=1S/C17H13Cl2N3O4S2/c1-27(23,24)17-8-7-16(20-21-17)11-3-2-4-12(9-11)22-28(25,26)13-5-6-14(18)15(19)10-13/h2-10,22H,1H3
InChIKeyFDGBGEBNCQWYSF-UHFFFAOYSA-N
MW458.35 g/mol
LogP3.65
Rot. Bonds5

About 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide

3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 18569022) has the molecular formula C17H13Cl2N3O4S2 and a molecular weight of 458.35 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID18569022
Molecular FormulaC17H13Cl2N3O4S2
Molecular Weight458.35 g/mol
Exact Mass456.97
IUPAC Name3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)nn1
InChIInChI=1S/C17H13Cl2N3O4S2/c1-27(23,24)17-8-7-16(20-21-17)11-3-2-4-12(9-11)22-28(25,26)13-5-6-14(18)15(19)10-13/h2-10,22H,1H3
InChIKeyFDGBGEBNCQWYSF-UHFFFAOYSA-N
XLogP3.65
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569044
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
3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873534
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 18569022) is 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)nn1.
What is the InChIKey of 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is FDGBGEBNCQWYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4S2/c1-27(23,24)17-8-7-16(20-21-17)11-3-2-4-12(9-11)22-28(25,26)13-5-6-14(18)15(19)10-13/h2-10,22H,1H3.
What are the key properties of 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 458.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18569022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).