N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide

C12H12ClN3O2S — CID 18509276

IUPACN-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H12ClN3O2S/c1-9-3-5-10(6-4-9)19(17,18)16(2)12-8-7-11(13)14-15-12/h3-8H,1-2H3
InChIKeyLYMRUCQBEXDAFI-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.26
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide

N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 18509276) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID18509276
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H12ClN3O2S/c1-9-3-5-10(6-4-9)19(17,18)16(2)12-8-7-11(13)14-15-12/h3-8H,1-2H3
InChIKeyLYMRUCQBEXDAFI-UHFFFAOYSA-N
XLogP2.26
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide (CID 18509276) is N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)nn2)cc1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is LYMRUCQBEXDAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-9-3-5-10(6-4-9)19(17,18)16(2)12-8-7-11(13)14-15-12/h3-8H,1-2H3.
What are the key properties of N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide?
N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 18509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).