3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide

C17H13Cl2N3O3S — CID 41247187

IUPAC3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1=O
InChIInChI=1S/C17H13Cl2N3O3S/c1-22-17(23)9-8-16(20-22)11-2-4-12(5-3-11)21-26(24,25)13-6-7-14(18)15(19)10-13/h2-10,21H,1H3
InChIKeyCUIIRKCHZNEDEP-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.55
Rot. Bonds4

About 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide

3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 41247187) has the molecular formula C17H13Cl2N3O3S and a molecular weight of 410.28 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID41247187
Molecular FormulaC17H13Cl2N3O3S
Molecular Weight410.28 g/mol
Exact Mass409.01
IUPAC Name3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1=O
InChIInChI=1S/C17H13Cl2N3O3S/c1-22-17(23)9-8-16(20-22)11-2-4-12(5-3-11)21-26(24,25)13-6-7-14(18)15(19)10-13/h2-10,21H,1H3
InChIKeyCUIIRKCHZNEDEP-UHFFFAOYSA-N
XLogP3.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41247179
2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41247209
3,4-dichloro-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821339
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 41241474
3,4-dichloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 2806355
N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
CID 112980530
2-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 7027991
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55349074
N-(4-methoxyphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134962
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134966

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide (CID 41247187) is 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide is Cn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1=O.
What is the InChIKey of 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is CUIIRKCHZNEDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S/c1-22-17(23)9-8-16(20-22)11-2-4-12(5-3-11)21-26(24,25)13-6-7-14(18)15(19)10-13/h2-10,21H,1H3.
What are the key properties of 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 410.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41247187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).