7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

C21H18N2O5S — CID 166231441

IUPAC7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)c1)CCC2
InChIInChI=1S/C21H18N2O5S/c24-21(25)15-11-14-5-3-8-18(14)19(12-15)29(26,27)23-16-6-4-7-17(13-16)28-20-9-1-2-10-22-20/h1-2,4,6-7,9-13,23H,3,5,8H2,(H,24,25)
InChIKeyPKVKFPVWRNDLPE-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.86
Rot. Bonds6

About 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 166231441) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID166231441
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC Name7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)c1)CCC2
InChIInChI=1S/C21H18N2O5S/c24-21(25)15-11-14-5-3-8-18(14)19(12-15)29(26,27)23-16-6-4-7-17(13-16)28-20-9-1-2-10-22-20/h1-2,4,6-7,9-13,23H,3,5,8H2,(H,24,25)
InChIKeyPKVKFPVWRNDLPE-UHFFFAOYSA-N
XLogP3.86
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid 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

7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121308
7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121307
7-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 139000538
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 60533204
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
CID 146128887
N-[3-(methanesulfonamido)phenyl]-3-pyridin-2-yloxybenzamide
CID 72719348
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55896060
2-hydroxy-2-phenyl-N-(3-pyridin-2-yloxyphenyl)acetamide
CID 111540805
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 31912381
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329

Frequently Asked Questions

What is the IUPAC name of 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 166231441) is 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)c1)CCC2.
What is the InChIKey of 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is PKVKFPVWRNDLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c24-21(25)15-11-14-5-3-8-18(14)19(12-15)29(26,27)23-16-6-4-7-17(13-16)28-20-9-1-2-10-22-20/h1-2,4,6-7,9-13,23H,3,5,8H2,(H,24,25).
What are the key properties of 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 410.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 166231441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).