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

C14H10BrClN6O3S — CID 19511265

IUPAC4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1[nH]ncc1Br
InChIInChI=1S/C14H10BrClN6O3S/c15-10-7-17-21-13(10)14(23)18-8-1-3-9(4-2-8)26(24,25)22-12-6-5-11(16)19-20-12/h1-7H,(H,17,21)(H,18,23)(H,20,22)
InChIKeyCPAVHESQXVAGTP-UHFFFAOYSA-N
MW457.70 g/mol
LogP2.67
Rot. Bonds5

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

4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19511265) has the molecular formula C14H10BrClN6O3S and a molecular weight of 457.70 g/mol. Its IUPAC name is 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19511265
Molecular FormulaC14H10BrClN6O3S
Molecular Weight457.70 g/mol
Exact Mass455.94
IUPAC Name4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1[nH]ncc1Br
InChIInChI=1S/C14H10BrClN6O3S/c15-10-7-17-21-13(10)14(23)18-8-1-3-9(4-2-8)26(24,25)22-12-6-5-11(16)19-20-12/h1-7H,(H,17,21)(H,18,23)(H,20,22)
InChIKeyCPAVHESQXVAGTP-UHFFFAOYSA-N
XLogP2.67
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.70
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514489
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]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263895
4-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19477223
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022428
4-chloro-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19579274
7-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 84569209
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 19465112
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 35535373
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 25049181
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525778
4-amino-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63104822

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide (CID 19511265) is 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CPAVHESQXVAGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN6O3S/c15-10-7-17-21-13(10)14(23)18-8-1-3-9(4-2-8)26(24,25)22-12-6-5-11(16)19-20-12/h1-7H,(H,17,21)(H,18,23)(H,20,22).
What are the key properties of 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide?
4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 457.70 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).