N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide

C15H12ClN7O5S — CID 19263895

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1
InChIInChI=1S/C15H12ClN7O5S/c1-22-8-11(23(25)26)14(20-22)15(24)17-9-2-4-10(5-3-9)29(27,28)21-13-7-6-12(16)18-19-13/h2-8H,1H3,(H,17,24)(H,19,21)
InChIKeyJNTUATYKCKFEFS-UHFFFAOYSA-N
MW437.83 g/mol
LogP1.82
Rot. Bonds6

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 19263895) has the molecular formula C15H12ClN7O5S and a molecular weight of 437.83 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID19263895
Molecular FormulaC15H12ClN7O5S
Molecular Weight437.83 g/mol
Exact Mass437.03
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1
InChIInChI=1S/C15H12ClN7O5S/c1-22-8-11(23(25)26)14(20-22)15(24)17-9-2-4-10(5-3-9)29(27,28)21-13-7-6-12(16)18-19-13/h2-8H,1H3,(H,17,24)(H,19,21)
InChIKeyJNTUATYKCKFEFS-UHFFFAOYSA-N
XLogP1.82
TPSA162.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.83
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557758
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 19465112
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022428
4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 19511265
4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19477223
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
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 17026778
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262698
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514489
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide (CID 19263895) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is JNTUATYKCKFEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7O5S/c1-22-8-11(23(25)26)14(20-22)15(24)17-9-2-4-10(5-3-9)29(27,28)21-13-7-6-12(16)18-19-13/h2-8H,1H3,(H,17,24)(H,19,21).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 437.83 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19263895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).