2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid

C18H19NO4S — CID 15290037

IUPAC2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C18H19NO4S/c20-18(21)11-13-6-7-15-9-14(10-16(15)8-13)12-19-24(22,23)17-4-2-1-3-5-17/h1-8,14,19H,9-12H2,(H,20,21)
InChIKeyIOVKLLOBQBHETL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.01
Rot. Bonds6

About 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid

2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid (PubChem CID 15290037) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid
PubChem CID15290037
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C18H19NO4S/c20-18(21)11-13-6-7-15-9-14(10-16(15)8-13)12-19-24(22,23)17-4-2-1-3-5-17/h1-8,14,19H,9-12H2,(H,20,21)
InChIKeyIOVKLLOBQBHETL-UHFFFAOYSA-N
XLogP2.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid?
The IUPAC name of 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid (CID 15290037) is 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid?
The canonical SMILES for 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid is O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid?
The InChIKey is IOVKLLOBQBHETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(21)11-13-6-7-15-9-14(10-16(15)8-13)12-19-24(22,23)17-4-2-1-3-5-17/h1-8,14,19H,9-12H2,(H,20,21).
What are the key properties of 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid?
2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid has a molecular weight of 345.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetic acid is sourced from PubChem (CID 15290037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).