4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide

C16H14Cl2N6O3S — CID 19477223

IUPAC4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C16H14Cl2N6O3S/c1-2-24-15(12(17)9-19-24)16(25)20-10-3-5-11(6-4-10)28(26,27)23-14-8-7-13(18)21-22-14/h3-9H,2H2,1H3,(H,20,25)(H,22,23)
InChIKeyQDGGKLQZACXBOY-UHFFFAOYSA-N
MW441.30 g/mol
LogP3.05
Rot. Bonds6

About 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide

4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19477223) has the molecular formula C16H14Cl2N6O3S and a molecular weight of 441.30 g/mol. Its IUPAC name is 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide
PubChem CID19477223
Molecular FormulaC16H14Cl2N6O3S
Molecular Weight441.30 g/mol
Exact Mass440.02
IUPAC Name4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C16H14Cl2N6O3S/c1-2-24-15(12(17)9-19-24)16(25)20-10-3-5-11(6-4-10)28(26,27)23-14-8-7-13(18)21-22-14/h3-9H,2H2,1H3,(H,20,25)(H,22,23)
InChIKeyQDGGKLQZACXBOY-UHFFFAOYSA-N
XLogP3.05
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide
CID 19477261
7-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 84569209
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525778
4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 19511265
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263895
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022428
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513570
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557758
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451127
1-ethyl-4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19476326
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447200
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514489

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide (CID 19477223) is 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is QDGGKLQZACXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O3S/c1-2-24-15(12(17)9-19-24)16(25)20-10-3-5-11(6-4-10)28(26,27)23-14-8-7-13(18)21-22-14/h3-9H,2H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide?
4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 441.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).