N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C17H17ClN6O3S — CID 19525778

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1
InChIInChI=1S/C17H17ClN6O3S/c1-11-9-12(2)24(22-11)10-17(25)19-13-3-5-14(6-4-13)28(26,27)23-16-8-7-15(18)20-21-16/h3-9H,10H2,1-2H3,(H,19,25)(H,21,23)
InChIKeyHNHDMFJQLMAALT-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.38
Rot. Bonds6

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 19525778) has the molecular formula C17H17ClN6O3S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID19525778
Molecular FormulaC17H17ClN6O3S
Molecular Weight420.88 g/mol
Exact Mass420.08
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1
InChIInChI=1S/C17H17ClN6O3S/c1-11-9-12(2)24(22-11)10-17(25)19-13-3-5-14(6-4-13)28(26,27)23-16-8-7-15(18)20-21-16/h3-9H,10H2,1-2H3,(H,19,25)(H,21,23)
InChIKeyHNHDMFJQLMAALT-UHFFFAOYSA-N
XLogP2.38
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]acetamide
CID 39059704
N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide
CID 7574897
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 19523572
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
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 112802201
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022428
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796370

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 19525778) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is HNHDMFJQLMAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3S/c1-11-9-12(2)24(22-11)10-17(25)19-13-3-5-14(6-4-13)28(26,27)23-16-8-7-15(18)20-21-16/h3-9H,10H2,1-2H3,(H,19,25)(H,21,23).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 420.88 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19525778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).