2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide

C18H16ClN3O4S — CID 156572293

IUPAC2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
SMILESCOc1nccc2c(S(N)(=O)=O)cc(NC(=O)Cc3ccccc3Cl)cc12
InChIInChI=1S/C18H16ClN3O4S/c1-26-18-14-9-12(10-16(27(20,24)25)13(14)6-7-21-18)22-17(23)8-11-4-2-3-5-15(11)19/h2-7,9-10H,8H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyWNRZNMNPUGJWFB-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide

2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide (PubChem CID 156572293) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
PubChem CID156572293
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC Name2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
SMILESCOc1nccc2c(S(N)(=O)=O)cc(NC(=O)Cc3ccccc3Cl)cc12
InChIInChI=1S/C18H16ClN3O4S/c1-26-18-14-9-12(10-16(27(20,24)25)13(14)6-7-21-18)22-17(23)8-11-4-2-3-5-15(11)19/h2-7,9-10H,8H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyWNRZNMNPUGJWFB-UHFFFAOYSA-N
XLogP2.73
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572330
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
CID 156572250
7-[[2-(2-chlorophenyl)acetyl]amino]-2-methoxyquinoline-5-sulfonyl chloride
CID 156572119
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
N-[5-aminosulfanyl-1-(2-cyclopropylethoxy)isoquinolin-7-yl]-2-(2-chlorophenyl)acetamide
CID 156572384
2-(2-chlorophenyl)-N-[3-[4-methyl-3-(oxomethylidene)piperazin-1-yl]-5-sulfamoylisoquinolin-7-yl]acetamide
CID 156803458
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
N-[5-aminosulfanyl-1-(fluoromethyl)isoquinolin-7-yl]-2-(2-chlorophenyl)acetamide
CID 156572350

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide (CID 156572293) is 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide is COc1nccc2c(S(N)(=O)=O)cc(NC(=O)Cc3ccccc3Cl)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
The InChIKey is WNRZNMNPUGJWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c1-26-18-14-9-12(10-16(27(20,24)25)13(14)6-7-21-18)22-17(23)8-11-4-2-3-5-15(11)19/h2-7,9-10H,8H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide has a molecular weight of 405.86 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide is sourced from PubChem (CID 156572293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).