3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide

C21H20Cl2N4O4S — CID 31776553

IUPAC3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C21H20Cl2N4O4S/c1-3-26(4-2)20(28)14-6-5-7-15(12-14)25-32(30,31)17-10-8-16(9-11-17)27-21(29)19(23)18(22)13-24-27/h5-13,25H,3-4H2,1-2H3
InChIKeyDNVFFLYZCPRBOT-UHFFFAOYSA-N
MW495.39 g/mol
LogP3.82
Rot. Bonds7

About 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide

3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide (PubChem CID 31776553) has the molecular formula C21H20Cl2N4O4S and a molecular weight of 495.39 g/mol. Its IUPAC name is 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide
PubChem CID31776553
Molecular FormulaC21H20Cl2N4O4S
Molecular Weight495.39 g/mol
Exact Mass494.06
IUPAC Name3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C21H20Cl2N4O4S/c1-3-26(4-2)20(28)14-6-5-7-15(12-14)25-32(30,31)17-10-8-16(9-11-17)27-21(29)19(23)18(22)13-24-27/h5-13,25H,3-4H2,1-2H3
InChIKeyDNVFFLYZCPRBOT-UHFFFAOYSA-N
XLogP3.82
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide (CID 31776553) is 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1.
What is the InChIKey of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide?
The InChIKey is DNVFFLYZCPRBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O4S/c1-3-26(4-2)20(28)14-6-5-7-15(12-14)25-32(30,31)17-10-8-16(9-11-17)27-21(29)19(23)18(22)13-24-27/h5-13,25H,3-4H2,1-2H3.
What are the key properties of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide?
3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide has a molecular weight of 495.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 31776553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).