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

C17H16ClNO5S — CID 51121311

IUPAC7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2
InChIInChI=1S/C17H16ClNO5S/c1-24-15-6-5-12(18)9-14(15)19-25(22,23)16-8-11(17(20)21)7-10-3-2-4-13(10)16/h5-9,19H,2-4H2,1H3,(H,20,21)
InChIKeyATFGCYAEYRXZJB-UHFFFAOYSA-N
MW381.84 g/mol
LogP3.34
Rot. Bonds5

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

7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 51121311) has the molecular formula C17H16ClNO5S and a molecular weight of 381.84 g/mol. Its IUPAC name is 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID51121311
Molecular FormulaC17H16ClNO5S
Molecular Weight381.84 g/mol
Exact Mass381.04
IUPAC Name7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2
InChIInChI=1S/C17H16ClNO5S/c1-24-15-6-5-12(18)9-14(15)19-25(22,23)16-8-11(17(20)21)7-10-3-2-4-13(10)16/h5-9,19H,2-4H2,1H3,(H,20,21)
InChIKeyATFGCYAEYRXZJB-UHFFFAOYSA-N
XLogP3.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121308
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121307
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235705
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516507
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
methyl 4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069083

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 51121311) is 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2.
What is the InChIKey of 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is ATFGCYAEYRXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5S/c1-24-15-6-5-12(18)9-14(15)19-25(22,23)16-8-11(17(20)21)7-10-3-2-4-13(10)16/h5-9,19H,2-4H2,1H3,(H,20,21).
What are the key properties of 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 381.84 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 51121311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).