2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid

C19H25NO5S — CID 154742702

IUPAC2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
SMILESO=C1CCCc2cc(S(=O)(=O)NC3CCCCCCC3C(=O)O)ccc21
InChIInChI=1S/C19H25NO5S/c21-18-9-5-6-13-12-14(10-11-15(13)18)26(24,25)20-17-8-4-2-1-3-7-16(17)19(22)23/h10-12,16-17,20H,1-9H2,(H,22,23)
InChIKeyGVBHTHJKPFZBAT-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.91
Rot. Bonds4

About 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid

2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid (PubChem CID 154742702) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
PubChem CID154742702
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
SMILESO=C1CCCc2cc(S(=O)(=O)NC3CCCCCCC3C(=O)O)ccc21
InChIInChI=1S/C19H25NO5S/c21-18-9-5-6-13-12-14(10-11-15(13)18)26(24,25)20-17-8-4-2-1-3-7-16(17)19(22)23/h10-12,16-17,20H,1-9H2,(H,22,23)
InChIKeyGVBHTHJKPFZBAT-UHFFFAOYSA-N
XLogP2.91
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
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CID 63251986
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
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2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid (CID 154742702) is 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid is O=C1CCCc2cc(S(=O)(=O)NC3CCCCCCC3C(=O)O)ccc21.
What is the InChIKey of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid?
The InChIKey is GVBHTHJKPFZBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c21-18-9-5-6-13-12-14(10-11-15(13)18)26(24,25)20-17-8-4-2-1-3-7-16(17)19(22)23/h10-12,16-17,20H,1-9H2,(H,22,23).
What are the key properties of 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid?
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid has a molecular weight of 379.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 154742702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).