3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

C12H11Cl2N3O2S — CID 110737987

IUPAC3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C12H11Cl2N3O2S/c1-8-2-3-9(17-16-8)7-15-20(18,19)10-4-5-11(13)12(14)6-10/h2-6,15H,7H2,1H3
InChIKeyVEBCQOJPPXSNPR-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.57
Rot. Bonds4

About 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (PubChem CID 110737987) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
PubChem CID110737987
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C12H11Cl2N3O2S/c1-8-2-3-9(17-16-8)7-15-20(18,19)10-4-5-11(13)12(14)6-10/h2-6,15H,7H2,1H3
InChIKeyVEBCQOJPPXSNPR-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

3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737976
N-[(6-methylpyridazin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110738037
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737979
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738034
3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110714870
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (CID 110737987) is 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is VEBCQOJPPXSNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-8-2-3-9(17-16-8)7-15-20(18,19)10-4-5-11(13)12(14)6-10/h2-6,15H,7H2,1H3.
What are the key properties of 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide 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 3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110737987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).