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

C22H21NO4S — CID 10409713

IUPAC2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C22H21NO4S/c24-22(25)12-15-5-6-19-10-16(11-20(19)9-15)14-23-28(26,27)21-8-7-17-3-1-2-4-18(17)13-21/h1-9,13,16,23H,10-12,14H2,(H,24,25)
InChIKeyAUGFRAXHMKPAMH-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.16
Rot. Bonds6

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

2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid (PubChem CID 10409713) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid
PubChem CID10409713
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C22H21NO4S/c24-22(25)12-15-5-6-19-10-16(11-20(19)9-15)14-23-28(26,27)21-8-7-17-3-1-2-4-18(17)13-21/h1-9,13,16,23H,10-12,14H2,(H,24,25)
InChIKeyAUGFRAXHMKPAMH-UHFFFAOYSA-N
XLogP3.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid?
The IUPAC name of 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid (CID 10409713) is 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid is O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2.
What is the InChIKey of 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid?
The InChIKey is AUGFRAXHMKPAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c24-22(25)12-15-5-6-19-10-16(11-20(19)9-15)14-23-28(26,27)21-8-7-17-3-1-2-4-18(17)13-21/h1-9,13,16,23H,10-12,14H2,(H,24,25).
What are the key properties of 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid?
2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid has a molecular weight of 395.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid is sourced from PubChem (CID 10409713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).