7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

C17H16FNO4S — CID 51121329

IUPAC7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c(F)c1
InChIInChI=1S/C17H16FNO4S/c1-10-5-6-15(14(18)7-10)19-24(22,23)16-9-12(17(20)21)8-11-3-2-4-13(11)16/h5-9,19H,2-4H2,1H3,(H,20,21)
InChIKeyQGMKKDZIGOIBFZ-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.12
Rot. Bonds4

About 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 51121329) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID51121329
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c(F)c1
InChIInChI=1S/C17H16FNO4S/c1-10-5-6-15(14(18)7-10)19-24(22,23)16-9-12(17(20)21)8-11-3-2-4-13(11)16/h5-9,19H,2-4H2,1H3,(H,20,21)
InChIKeyQGMKKDZIGOIBFZ-UHFFFAOYSA-N
XLogP3.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121307
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 60533204
7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121311
7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166266051
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121308
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11516375
3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78843133
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195
7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55896060

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 51121329) is 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c(F)c1.
What is the InChIKey of 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is QGMKKDZIGOIBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-10-5-6-15(14(18)7-10)19-24(22,23)16-9-12(17(20)21)8-11-3-2-4-13(11)16/h5-9,19H,2-4H2,1H3,(H,20,21).
What are the key properties of 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 349.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 51121329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).