2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide

C18H16ClN3O5S — CID 156572330

IUPAC2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
SMILESCOc1nccc2c(S(N)(=O)=O)cc(NC(=O)Cc3c(O)cccc3Cl)cc12
InChIInChI=1S/C18H16ClN3O5S/c1-27-18-12-7-10(8-16(28(20,25)26)11(12)5-6-21-18)22-17(24)9-13-14(19)3-2-4-15(13)23/h2-8,23H,9H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyCUCMXSUIKZMCKQ-UHFFFAOYSA-N
MW421.86 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide

2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide (PubChem CID 156572330) has the molecular formula C18H16ClN3O5S and a molecular weight of 421.86 g/mol. Its IUPAC name is 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
PubChem CID156572330
Molecular FormulaC18H16ClN3O5S
Molecular Weight421.86 g/mol
Exact Mass421.05
IUPAC Name2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
SMILESCOc1nccc2c(S(N)(=O)=O)cc(NC(=O)Cc3c(O)cccc3Cl)cc12
InChIInChI=1S/C18H16ClN3O5S/c1-27-18-12-7-10(8-16(28(20,25)26)11(12)5-6-21-18)22-17(24)9-13-14(19)3-2-4-15(13)23/h2-8,23H,9H2,1H3,(H,22,24)(H2,20,25,26)
InChIKeyCUCMXSUIKZMCKQ-UHFFFAOYSA-N
XLogP2.43
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596481
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chloro-6-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596477
2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide
CID 175434292
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
CID 60533156
tert-butyl N-[5-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methoxyphenyl]carbamate
CID 55654801
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
CID 156572250
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide (CID 156572330) is 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide is COc1nccc2c(S(N)(=O)=O)cc(NC(=O)Cc3c(O)cccc3Cl)cc12.
What is the InChIKey of 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
The InChIKey is CUCMXSUIKZMCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5S/c1-27-18-12-7-10(8-16(28(20,25)26)11(12)5-6-21-18)22-17(24)9-13-14(19)3-2-4-15(13)23/h2-8,23H,9H2,1H3,(H,22,24)(H2,20,25,26).
What are the key properties of 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide?
2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide has a molecular weight of 421.86 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-hydroxyphenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide is sourced from PubChem (CID 156572330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).