6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid

C13H19NO5S — CID 68502210

IUPAC6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
SMILESCOc1cccc(S(=O)(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-19-11-6-5-7-12(10-11)20(17,18)14-9-4-2-3-8-13(15)16/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyVFGNSPPRXRNWGP-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.62
Rot. Bonds9

About 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid

6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid (PubChem CID 68502210) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
PubChem CID68502210
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
SMILESCOc1cccc(S(=O)(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C13H19NO5S/c1-19-11-6-5-7-12(10-11)20(17,18)14-9-4-2-3-8-13(15)16/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyVFGNSPPRXRNWGP-UHFFFAOYSA-N
XLogP1.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(3-methoxyphenyl)sulfonylamino]hexanoic 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

ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 107835264
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]pentanoic acid
CID 62034487
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
7-[(3,5-dimethylphenyl)sulfonylamino]heptanoic acid
CID 60640044
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid (CID 68502210) is 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid is COc1cccc(S(=O)(=O)NCCCCCC(=O)O)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid?
The InChIKey is VFGNSPPRXRNWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-19-11-6-5-7-12(10-11)20(17,18)14-9-4-2-3-8-13(15)16/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16).
What are the key properties of 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid?
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 68502210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).