6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid

C18H16N2O5S — CID 175508520

IUPAC6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)C=CC1(O)S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C18H16N2O5S/c21-17(22)15-12-14(13-6-2-1-3-7-13)9-10-18(15,23)26(24,25)20-16-8-4-5-11-19-16/h1-12,15,23H,(H,19,20)(H,21,22)
InChIKeyDGLBILJOAGWUKZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.87
Rot. Bonds5

About 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid

6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 175508520) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID175508520
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)C=CC1(O)S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C18H16N2O5S/c21-17(22)15-12-14(13-6-2-1-3-7-13)9-10-18(15,23)26(24,25)20-16-8-4-5-11-19-16/h1-12,15,23H,(H,19,20)(H,21,22)
InChIKeyDGLBILJOAGWUKZ-UHFFFAOYSA-N
XLogP1.87
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-6-hydroxy-3-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 154825090
6-hydroxy-3-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 174490468
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
6-chloro-1-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991470
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
N-(benzylsulfamoyl)pyridin-2-amine
CID 154490525
5-(pyridin-2-ylsulfamoyl)furan-2-carboxylic acid
CID 1322341
1-bromo-N-pyridin-2-ylmethanesulfonamide
CID 83085049
2-(6-chloro-6-methyl-3-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 174698946
5-phenyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 110683613
bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea
CID 67884901
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid (CID 175508520) is 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1C=C(c2ccccc2)C=CC1(O)S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is DGLBILJOAGWUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-17(22)15-12-14(13-6-2-1-3-7-13)9-10-18(15,23)26(24,25)20-16-8-4-5-11-19-16/h1-12,15,23H,(H,19,20)(H,21,22).
What are the key properties of 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid?
6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-phenyl-6-(pyridin-2-ylsulfamoyl)cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 175508520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).