5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid

C15H19NO5S — CID 166298364

IUPAC5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCN(C1CC(O)C1)S(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C2
InChIInChI=1S/C15H19NO5S/c1-16(12-7-13(17)8-12)22(20,21)14-3-2-9-4-11(15(18)19)5-10(9)6-14/h2-3,6,11-13,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyZMZRTOWQFWVPAA-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.63
Rot. Bonds4

About 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid

5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 166298364) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID166298364
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCN(C1CC(O)C1)S(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C2
InChIInChI=1S/C15H19NO5S/c1-16(12-7-13(17)8-12)22(20,21)14-3-2-9-4-11(15(18)19)5-10(9)6-14/h2-3,6,11-13,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyZMZRTOWQFWVPAA-UHFFFAOYSA-N
XLogP0.63
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 166298364) is 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid is CN(C1CC(O)C1)S(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C2.
What is the InChIKey of 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is ZMZRTOWQFWVPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-16(12-7-13(17)8-12)22(20,21)14-3-2-9-4-11(15(18)19)5-10(9)6-14/h2-3,6,11-13,17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid?
5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 166298364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).