N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide

C15H15ClN4O4S — CID 146022428

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)COC1
InChIInChI=1S/C15H15ClN4O4S/c1-15(8-24-9-15)14(21)17-10-2-4-11(5-3-10)25(22,23)20-13-7-6-12(16)18-19-13/h2-7H,8-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyYMGOMMRLCVDFMS-UHFFFAOYSA-N
MW382.83 g/mol
LogP1.91
Rot. Bonds5

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide (PubChem CID 146022428) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
PubChem CID146022428
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)COC1
InChIInChI=1S/C15H15ClN4O4S/c1-15(8-24-9-15)14(21)17-10-2-4-11(5-3-10)25(22,23)20-13-7-6-12(16)18-19-13/h2-7H,8-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyYMGOMMRLCVDFMS-UHFFFAOYSA-N
XLogP1.91
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263895
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451127
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-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19477223
4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 19511265
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
CID 25049208
N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide
CID 7574897
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514489
7-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 84569209
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide (CID 146022428) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide is CC1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)COC1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide?
The InChIKey is YMGOMMRLCVDFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c1-15(8-24-9-15)14(21)17-10-2-4-11(5-3-10)25(22,23)20-13-7-6-12(16)18-19-13/h2-7H,8-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide has a molecular weight of 382.83 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 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-methyloxetane-3-carboxamide is sourced from PubChem (CID 146022428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).