4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid

C14H18FNO5S — CID 132971348

IUPAC4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)ccc1F
InChIInChI=1S/C14H18FNO5S/c1-10-8-11(2-3-12(10)15)22(19,20)16-9-14(13(17)18)4-6-21-7-5-14/h2-3,8,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyDUNPVRRVPKOEBQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.29
Rot. Bonds5

About 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid

4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid (PubChem CID 132971348) has the molecular formula C14H18FNO5S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
PubChem CID132971348
Molecular FormulaC14H18FNO5S
Molecular Weight331.37 g/mol
Exact Mass331.09
IUPAC Name4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)ccc1F
InChIInChI=1S/C14H18FNO5S/c1-10-8-11(2-3-12(10)15)22(19,20)16-9-14(13(17)18)4-6-21-7-5-14/h2-3,8,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyDUNPVRRVPKOEBQ-UHFFFAOYSA-N
XLogP1.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-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-[[(3-fluoro-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450133
4-[[(3-fluorophenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
CID 115438559
1-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138
4-[[(4-bromophenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
CID 115438563
4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438418
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110292787
4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
CID 27450995
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
1-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450101
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid (CID 132971348) is 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid is Cc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)ccc1F.
What is the InChIKey of 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid?
The InChIKey is DUNPVRRVPKOEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO5S/c1-10-8-11(2-3-12(10)15)22(19,20)16-9-14(13(17)18)4-6-21-7-5-14/h2-3,8,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid?
4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 132971348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).