2-(naphthalen-1-ylsulfonylamino)octanoic acid

C18H23NO4S — CID 102208300

IUPAC2-(naphthalen-1-ylsulfonylamino)octanoic acid
SMILESCCCCCCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C18H23NO4S/c1-2-3-4-5-12-16(18(20)21)19-24(22,23)17-13-8-10-14-9-6-7-11-15(14)17/h6-11,13,16,19H,2-5,12H2,1H3,(H,20,21)
InChIKeyKIJPUKWAHUKZRK-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.54
Rot. Bonds9

About 2-(naphthalen-1-ylsulfonylamino)octanoic acid

2-(naphthalen-1-ylsulfonylamino)octanoic acid (PubChem CID 102208300) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(naphthalen-1-ylsulfonylamino)octanoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylsulfonylamino)octanoic acid
PubChem CID102208300
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name2-(naphthalen-1-ylsulfonylamino)octanoic acid
SMILESCCCCCCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C18H23NO4S/c1-2-3-4-5-12-16(18(20)21)19-24(22,23)17-13-8-10-14-9-6-7-11-15(14)17/h6-11,13,16,19H,2-5,12H2,1H3,(H,20,21)
InChIKeyKIJPUKWAHUKZRK-UHFFFAOYSA-N
XLogP3.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
CID 14029644
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43386741
(2R)-2-(isoquinolin-5-ylsulfonylamino)pentanoic acid
CID 104935427
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
cyclohexanamine;2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octanoic acid
CID 71308737
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
2-(naphthalen-1-ylsulfonylamino)-N-(1-phenylethyl)pentanamide
CID 42703154
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(2R)-2-amino-3-[[(2R)-2-carboxy-2-(naphthalen-1-ylsulfonylamino)ethyl]disulfanyl]propanoic acid
CID 151966801
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)hexanoic acid
CID 104934694

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylsulfonylamino)octanoic acid?
The IUPAC name of 2-(naphthalen-1-ylsulfonylamino)octanoic acid (CID 102208300) is 2-(naphthalen-1-ylsulfonylamino)octanoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylsulfonylamino)octanoic acid?
The canonical SMILES for 2-(naphthalen-1-ylsulfonylamino)octanoic acid is CCCCCCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-(naphthalen-1-ylsulfonylamino)octanoic acid?
The InChIKey is KIJPUKWAHUKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-2-3-4-5-12-16(18(20)21)19-24(22,23)17-13-8-10-14-9-6-7-11-15(14)17/h6-11,13,16,19H,2-5,12H2,1H3,(H,20,21).
What are the key properties of 2-(naphthalen-1-ylsulfonylamino)octanoic acid?
2-(naphthalen-1-ylsulfonylamino)octanoic acid has a molecular weight of 349.45 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylsulfonylamino)octanoic acid is sourced from PubChem (CID 102208300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).