N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide

C12H11Cl2N3O2S — CID 11771905

IUPACN-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H11Cl2N3O2S/c1-8-2-4-10(5-3-8)20(18,19)15-7-9-6-11(13)16-17-12(9)14/h2-6,15H,7H2,1H3
InChIKeyRUEFJZNBXJANFH-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.57
Rot. Bonds4

About N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide

N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 11771905) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID11771905
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC NameN-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H11Cl2N3O2S/c1-8-2-4-10(5-3-8)20(18,19)15-7-9-6-11(13)16-17-12(9)14/h2-6,15H,7H2,1H3
InChIKeyRUEFJZNBXJANFH-UHFFFAOYSA-N
XLogP2.57
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
CID 10925155
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 43550358
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
4-methyl-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3477132
4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870208
4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide
CID 68805332
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide (CID 11771905) is N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc(Cl)nnc2Cl)cc1.
What is the InChIKey of N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is RUEFJZNBXJANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-8-2-4-10(5-3-8)20(18,19)15-7-9-6-11(13)16-17-12(9)14/h2-6,15H,7H2,1H3.
What are the key properties of N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide?
N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11771905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).