N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide

C20H21N3O4S2 — CID 41159293

IUPACN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)nn1
InChIInChI=1S/C20H21N3O4S2/c1-4-28(24,25)20-11-10-18(21-22-20)16-6-5-7-17(13-16)23-29(26,27)19-12-14(2)8-9-15(19)3/h5-13,23H,4H2,1-3H3
InChIKeyOLBWYVDYGLEILJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.35
Rot. Bonds6

About N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide

N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 41159293) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID41159293
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)nn1
InChIInChI=1S/C20H21N3O4S2/c1-4-28(24,25)20-11-10-18(21-22-20)16-6-5-7-17(13-16)23-29(26,27)19-12-14(2)8-9-15(19)3/h5-13,23H,4H2,1-3H3
InChIKeyOLBWYVDYGLEILJ-UHFFFAOYSA-N
XLogP3.35
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159417
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,5-dimethylbenzenesulfonamide
CID 41159413
2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
CID 171822730
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18567813
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 41159293) is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide is CCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)nn1.
What is the InChIKey of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is OLBWYVDYGLEILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-4-28(24,25)20-11-10-18(21-22-20)16-6-5-7-17(13-16)23-29(26,27)19-12-14(2)8-9-15(19)3/h5-13,23H,4H2,1-3H3.
What are the key properties of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 431.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 41159293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).