N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C20H14ClFN6O3S — CID 19514489

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C20H14ClFN6O3S/c21-18-9-10-19(27-26-18)28-32(30,31)15-7-5-14(6-8-15)23-20(29)17-11-16(24-25-17)12-1-3-13(22)4-2-12/h1-11H,(H,23,29)(H,24,25)(H,27,28)
InChIKeyWSYOSTTVNUBXRP-UHFFFAOYSA-N
MW472.89 g/mol
LogP3.71
Rot. Bonds6

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514489) has the molecular formula C20H14ClFN6O3S and a molecular weight of 472.89 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19514489
Molecular FormulaC20H14ClFN6O3S
Molecular Weight472.89 g/mol
Exact Mass472.05
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C20H14ClFN6O3S/c21-18-9-10-19(27-26-18)28-32(30,31)15-7-5-14(6-8-15)23-20(29)17-11-16(24-25-17)12-1-3-13(22)4-2-12/h1-11H,(H,23,29)(H,24,25)(H,27,28)
InChIKeyWSYOSTTVNUBXRP-UHFFFAOYSA-N
XLogP3.71
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.89
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513570
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
3-(4-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19514441
4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 19511265
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508767
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447200
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785490
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 19514489) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WSYOSTTVNUBXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN6O3S/c21-18-9-10-19(27-26-18)28-32(30,31)15-7-5-14(6-8-15)23-20(29)17-11-16(24-25-17)12-1-3-13(22)4-2-12/h1-11H,(H,23,29)(H,24,25)(H,27,28).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 472.89 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).