N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide

C12H13N3O4S2 — CID 26842222

IUPACN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1
InChIInChI=1S/C12H13N3O4S2/c1-20(16,17)12-7-6-11(13-14-12)9-4-3-5-10(8-9)15-21(2,18)19/h3-8,15H,1-2H3
InChIKeyPVDLQSWIOPKYBU-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.92
Rot. Bonds4

About N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide

N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide (PubChem CID 26842222) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
PubChem CID26842222
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1
InChIInChI=1S/C12H13N3O4S2/c1-20(16,17)12-7-6-11(13-14-12)9-4-3-5-10(8-9)15-21(2,18)19/h3-8,15H,1-2H3
InChIKeyPVDLQSWIOPKYBU-UHFFFAOYSA-N
XLogP0.92
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.92
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]-4-phenoxybenzenesulfonamide
CID 18569028
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569044
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
CID 18567788
2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 16799410
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 16799423
2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 16799435
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide (CID 26842222) is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1.
What is the InChIKey of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide?
The InChIKey is PVDLQSWIOPKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-20(16,17)12-7-6-11(13-14-12)9-4-3-5-10(8-9)15-21(2,18)19/h3-8,15H,1-2H3.
What are the key properties of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide?
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide has a molecular weight of 327.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 26842222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).