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

C16H14NO4S- — CID 8001167

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
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)/p-1
InChIKeyBRNWNNJGARYUNW-UHFFFAOYSA-M
MW316.36 g/mol
LogP1.34
Rot. Bonds4

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

3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate (PubChem CID 8001167) has the molecular formula C16H14NO4S- and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
PubChem CID8001167
Molecular FormulaC16H14NO4S-
Molecular Weight316.36 g/mol
Exact Mass316.06
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
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)/p-1
InChIKeyBRNWNNJGARYUNW-UHFFFAOYSA-M
XLogP1.34
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16944293

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate (CID 8001167) is 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate 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)benzoate?
The InChIKey is BRNWNNJGARYUNW-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate?
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate has a molecular weight of 316.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate is sourced from PubChem (CID 8001167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).