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

C17H17NO4S — CID 51121307

IUPAC7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)cc1
InChIInChI=1S/C17H17NO4S/c1-11-5-7-14(8-6-11)18-23(21,22)16-10-13(17(19)20)9-12-3-2-4-15(12)16/h5-10,18H,2-4H2,1H3,(H,19,20)
InChIKeySIXRYEMGTMRCRS-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.98
Rot. Bonds4

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

7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 51121307) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID51121307
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)cc1
InChIInChI=1S/C17H17NO4S/c1-11-5-7-14(8-6-11)18-23(21,22)16-10-13(17(19)20)9-12-3-2-4-15(12)16/h5-10,18H,2-4H2,1H3,(H,19,20)
InChIKeySIXRYEMGTMRCRS-UHFFFAOYSA-N
XLogP2.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.98
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-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121308
7-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 139000538
7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166266051
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 60533204
7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55896060
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
4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 136588698
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3,4-dimethyl-5-[(4-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 7516340
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 126414305

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 51121307) is 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)cc1.
What is the InChIKey of 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is SIXRYEMGTMRCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-11-5-7-14(8-6-11)18-23(21,22)16-10-13(17(19)20)9-12-3-2-4-15(12)16/h5-10,18H,2-4H2,1H3,(H,19,20).
What are the key properties of 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 331.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 51121307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).