2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide

C20H16ClN5O3S — CID 156572250

IUPAC2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2nc(-n3cccn3)ccc12
InChIInChI=1S/C20H16ClN5O3S/c21-16-5-2-1-4-13(16)10-20(27)24-14-11-17-15(18(12-14)30(22,28)29)6-7-19(25-17)26-9-3-8-23-26/h1-9,11-12H,10H2,(H,24,27)(H2,22,28,29)
InChIKeyNJLJLHBVUPDWEJ-UHFFFAOYSA-N
MW441.90 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide

2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide (PubChem CID 156572250) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
PubChem CID156572250
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC Name2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2nc(-n3cccn3)ccc12
InChIInChI=1S/C20H16ClN5O3S/c21-16-5-2-1-4-13(16)10-20(27)24-14-11-17-15(18(12-14)30(22,28)29)6-7-19(25-17)26-9-3-8-23-26/h1-9,11-12H,10H2,(H,24,27)(H2,22,28,29)
InChIKeyNJLJLHBVUPDWEJ-UHFFFAOYSA-N
XLogP2.90
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
7-[[2-(2-chlorophenyl)acetyl]amino]-2-methoxyquinoline-5-sulfonyl chloride
CID 156572119
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[3-[4-methyl-3-(oxomethylidene)piperazin-1-yl]-5-sulfamoylisoquinolin-7-yl]acetamide
CID 156803458
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 142472468
2-(2-chlorophenyl)-N-[3-(5-chloro-3-pyridinyl)-5-sulfamoylphenyl]acetamide
CID 134588591
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
CID 134588333

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide (CID 156572250) is 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2nc(-n3cccn3)ccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide?
The InChIKey is NJLJLHBVUPDWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c21-16-5-2-1-4-13(16)10-20(27)24-14-11-17-15(18(12-14)30(22,28)29)6-7-19(25-17)26-9-3-8-23-26/h1-9,11-12H,10H2,(H,24,27)(H2,22,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide?
2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide has a molecular weight of 441.90 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide is sourced from PubChem (CID 156572250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).