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

C19H17N3O5S2 — CID 18569024

IUPAC4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-13(23)14-6-8-17(9-7-14)29(26,27)22-16-5-3-4-15(12-16)18-10-11-19(21-20-18)28(2,24)25/h3-12,22H,1-2H3
InChIKeyLKJRTJJOVJQKDQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.55
Rot. Bonds6

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

4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 18569024) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID18569024
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC Name4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-13(23)14-6-8-17(9-7-14)29(26,27)22-16-5-3-4-15(12-16)18-10-11-19(21-20-18)28(2,24)25/h3-12,22H,1-2H3
InChIKeyLKJRTJJOVJQKDQ-UHFFFAOYSA-N
XLogP2.55
TPSA123.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569044
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
4-acetyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 7151307
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
CID 18567788

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 18569024) is 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1.
What is the InChIKey of 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is LKJRTJJOVJQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c1-13(23)14-6-8-17(9-7-14)29(26,27)22-16-5-3-4-15(12-16)18-10-11-19(21-20-18)28(2,24)25/h3-12,22H,1-2H3.
What are the key properties of 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide?
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 431.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18569024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).