3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid

C17H19NO5S — CID 166289254

IUPAC3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CCCOC2)c2ccccc12
InChIInChI=1S/C17H19NO5S/c1-12-7-8-15(14-6-3-2-5-13(12)14)24(21,22)18-17(16(19)20)9-4-10-23-11-17/h2-3,5-8,18H,4,9-11H2,1H3,(H,19,20)
InChIKeyAMVOKADVCHKRCP-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.06
Rot. Bonds4

About 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid

3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid (PubChem CID 166289254) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid
PubChem CID166289254
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CCCOC2)c2ccccc12
InChIInChI=1S/C17H19NO5S/c1-12-7-8-15(14-6-3-2-5-13(12)14)24(21,22)18-17(16(19)20)9-4-10-23-11-17/h2-3,5-8,18H,4,9-11H2,1H3,(H,19,20)
InChIKeyAMVOKADVCHKRCP-UHFFFAOYSA-N
XLogP2.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 142344597
1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 114795458
1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 115578255
3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888666
3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid
CID 166289255
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
4-[(3-fluoro-2-methylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 167793627
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
4-[(3,4-dimethylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291935
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164226
2-[3-[(3-chloro-2-methylphenyl)sulfonylamino]oxan-3-yl]acetic acid
CID 138000553
N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide
CID 68528787

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid?
The IUPAC name of 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid (CID 166289254) is 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid?
The canonical SMILES for 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid is Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCOC2)c2ccccc12.
What is the InChIKey of 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid?
The InChIKey is AMVOKADVCHKRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-7-8-15(14-6-3-2-5-13(12)14)24(21,22)18-17(16(19)20)9-4-10-23-11-17/h2-3,5-8,18H,4,9-11H2,1H3,(H,19,20).
What are the key properties of 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid?
3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid is sourced from PubChem (CID 166289254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).