3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid

C16H15NO4S — CID 6463202

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H15NO4S/c18-16(19)13-5-2-6-15(10-13)22(20,21)17-14-8-7-11-3-1-4-12(11)9-14/h2,5-10,17H,1,3-4H2,(H,18,19)
InChIKeyBRNWNNJGARYUNW-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.67
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid

3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid (PubChem CID 6463202) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid
PubChem CID6463202
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H15NO4S/c18-16(19)13-5-2-6-15(10-13)22(20,21)17-14-8-7-11-3-1-4-12(11)9-14/h2,5-10,17H,1,3-4H2,(H,18,19)
InChIKeyBRNWNNJGARYUNW-UHFFFAOYSA-N
XLogP2.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 6102685
3-Ethyl-6-(((4-fluorophenyl)sulfonyl)amino)-2-methylbenzoic acid
CID 23647763
Benzoic acid, 2-((phenylsulfonyl)amino)-
CID 36941
4-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid
CID 1188105
4-Benzenesulfonamidobenzoic acid
CID 506053
5,6-Disubstituted anthranilic acid sulfonamide, 9b
CID 23647762
5,6-Disubstituted anthranilic acid sulfonamide, 9d
CID 23647764
Sulfonamide-Substituted Cyclooctylpyranone deriv. 34f
CID 54688941
4-[(4-Methylbenzene-1-sulfonyl)amino]benzoic acid
CID 561385
3-Benzenesulfonamidobenzoic acid
CID 792201
6-[(4-Fluorobenzene)sulfonamido]-2,3-dimethylbenzoic acid
CID 23644716
5,6-Disubstituted anthranilic acid sulfonamide, 9e
CID 23647765

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid (CID 6463202) is 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid?
The InChIKey is BRNWNNJGARYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c18-16(19)13-5-2-6-15(10-13)22(20,21)17-14-8-7-11-3-1-4-12(11)9-14/h2,5-10,17H,1,3-4H2,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid?
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid has a molecular weight of 317.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 6463202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).