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

C19H21NO4S — CID 60533204

IUPAC7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2
InChIInChI=1S/C19H21NO4S/c1-12(2)15-7-3-4-9-17(15)20-25(23,24)18-11-14(19(21)22)10-13-6-5-8-16(13)18/h3-4,7,9-12,20H,5-6,8H2,1-2H3,(H,21,22)
InChIKeyJTSSYBLWHONTTI-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.80
Rot. Bonds5

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

7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 60533204) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID60533204
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2
InChIInChI=1S/C19H21NO4S/c1-12(2)15-7-3-4-9-17(15)20-25(23,24)18-11-14(19(21)22)10-13-6-5-8-16(13)18/h3-4,7,9-12,20H,5-6,8H2,1-2H3,(H,21,22)
InChIKeyJTSSYBLWHONTTI-UHFFFAOYSA-N
XLogP3.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329
7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121307
7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121311
7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121308
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
3-[(2-iodophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid
CID 60532852
7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166266051
4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 136588698
7-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 139000538
4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43258274
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461

Frequently Asked Questions

What is the IUPAC name of 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 60533204) is 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is CC(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2.
What is the InChIKey of 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is JTSSYBLWHONTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-12(2)15-7-3-4-9-17(15)20-25(23,24)18-11-14(19(21)22)10-13-6-5-8-16(13)18/h3-4,7,9-12,20H,5-6,8H2,1-2H3,(H,21,22).
What are the key properties of 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 359.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 60533204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).