3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide

C18H19ClN6O5S — CID 19542060

IUPAC3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CCn3cc(Cl)cn3)cc2)nc(OC)n1
InChIInChI=1S/C18H19ClN6O5S/c1-29-17-9-15(22-18(23-17)30-2)24-31(27,28)14-5-3-13(4-6-14)21-16(26)7-8-25-11-12(19)10-20-25/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyGAEUGHYWZALPNQ-UHFFFAOYSA-N
MW466.91 g/mol
LogP2.17
Rot. Bonds9

About 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide

3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide (PubChem CID 19542060) has the molecular formula C18H19ClN6O5S and a molecular weight of 466.91 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
PubChem CID19542060
Molecular FormulaC18H19ClN6O5S
Molecular Weight466.91 g/mol
Exact Mass466.08
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CCn3cc(Cl)cn3)cc2)nc(OC)n1
InChIInChI=1S/C18H19ClN6O5S/c1-29-17-9-15(22-18(23-17)30-2)24-31(27,28)14-5-3-13(4-6-14)21-16(26)7-8-25-11-12(19)10-20-25/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyGAEUGHYWZALPNQ-UHFFFAOYSA-N
XLogP2.17
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.91
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526453
3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 19570156
2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5218053
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 25044682
1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 2206595
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280722
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
methyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4660134
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
CID 1381291
2,4-dichloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 3520706

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide (CID 19542060) is 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)CCn3cc(Cl)cn3)cc2)nc(OC)n1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is GAEUGHYWZALPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O5S/c1-29-17-9-15(22-18(23-17)30-2)24-31(27,28)14-5-3-13(4-6-14)21-16(26)7-8-25-11-12(19)10-20-25/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide?
3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 466.91 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 19542060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).