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

C16H14ClNO4S — CID 51121308

IUPAC7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(Cl)c3)c1)CCC2
InChIInChI=1S/C16H14ClNO4S/c17-12-4-2-5-13(9-12)18-23(21,22)15-8-11(16(19)20)7-10-3-1-6-14(10)15/h2,4-5,7-9,18H,1,3,6H2,(H,19,20)
InChIKeyOQTKZODIHQDWNM-UHFFFAOYSA-N
MW351.81 g/mol
LogP3.33
Rot. Bonds4

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

7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 51121308) has the molecular formula C16H14ClNO4S and a molecular weight of 351.81 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID51121308
Molecular FormulaC16H14ClNO4S
Molecular Weight351.81 g/mol
Exact Mass351.03
IUPAC Name7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(Cl)c3)c1)CCC2
InChIInChI=1S/C16H14ClNO4S/c17-12-4-2-5-13(9-12)18-23(21,22)15-8-11(16(19)20)7-10-3-1-6-14(10)15/h2,4-5,7-9,18H,1,3,6H2,(H,19,20)
InChIKeyOQTKZODIHQDWNM-UHFFFAOYSA-N
XLogP3.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.33
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-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121311
7-[(3-pyridin-2-yloxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166231441
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 60533204
7-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 139000538
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826
7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166266051
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 51121308) is 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(Cl)c3)c1)CCC2.
What is the InChIKey of 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is OQTKZODIHQDWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4S/c17-12-4-2-5-13(9-12)18-23(21,22)15-8-11(16(19)20)7-10-3-1-6-14(10)15/h2,4-5,7-9,18H,1,3,6H2,(H,19,20).
What are the key properties of 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 351.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 51121308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).