5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide

C19H17Cl2N3O4S — CID 41241507

IUPAC5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C19H17Cl2N3O4S/c1-28-17-8-6-15(21)12-18(17)29(26,27)22-10-11-24-19(25)9-7-16(23-24)13-2-4-14(20)5-3-13/h2-9,12,22H,10-11H2,1H3
InChIKeyQBFVZJCNJQOUNZ-UHFFFAOYSA-N
MW454.34 g/mol
LogP3.20
Rot. Bonds7

About 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide (PubChem CID 41241507) has the molecular formula C19H17Cl2N3O4S and a molecular weight of 454.34 g/mol. Its IUPAC name is 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
PubChem CID41241507
Molecular FormulaC19H17Cl2N3O4S
Molecular Weight454.34 g/mol
Exact Mass453.03
IUPAC Name5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C19H17Cl2N3O4S/c1-28-17-8-6-15(21)12-18(17)29(26,27)22-10-11-24-19(25)9-7-16(23-24)13-2-4-14(20)5-3-13/h2-9,12,22H,10-11H2,1H3
InChIKeyQBFVZJCNJQOUNZ-UHFFFAOYSA-N
XLogP3.20
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825988
4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 41241474
2,4-dichloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylbenzenesulfonamide
CID 121034014
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985
2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 41241616
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 18569716
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 121034447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide (CID 41241507) is 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is QBFVZJCNJQOUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O4S/c1-28-17-8-6-15(21)12-18(17)29(26,27)22-10-11-24-19(25)9-7-16(23-24)13-2-4-14(20)5-3-13/h2-9,12,22H,10-11H2,1H3.
What are the key properties of 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 454.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 41241507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).