3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C16H16ClN5O3S2 — CID 19570318

IUPAC3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H16ClN5O3S2/c1-11(9-22-10-12(17)8-19-22)15(23)20-13-2-4-14(5-3-13)27(24,25)21-16-18-6-7-26-16/h2-8,10-11H,9H2,1H3,(H,18,21)(H,20,23)
InChIKeyJVSZXNACZIQWLB-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.07
Rot. Bonds7

About 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 19570318) has the molecular formula C16H16ClN5O3S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID19570318
Molecular FormulaC16H16ClN5O3S2
Molecular Weight425.92 g/mol
Exact Mass425.04
IUPAC Name3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H16ClN5O3S2/c1-11(9-22-10-12(17)8-19-22)15(23)20-13-2-4-14(5-3-13)27(24,25)21-16-18-6-7-26-16/h2-8,10-11H,9H2,1H3,(H,18,21)(H,20,23)
InChIKeyJVSZXNACZIQWLB-UHFFFAOYSA-N
XLogP3.07
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)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

(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40964488
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19263270
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
(2S)-2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 42561538
2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19507330
3-(4-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19555438

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 19570318) is 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(Cn1cc(Cl)cn1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is JVSZXNACZIQWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3S2/c1-11(9-22-10-12(17)8-19-22)15(23)20-13-2-4-14(5-3-13)27(24,25)21-16-18-6-7-26-16/h2-8,10-11H,9H2,1H3,(H,18,21)(H,20,23).
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 425.92 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 19570318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).