2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide

C13H18FNO4S — CID 91772450

IUPAC2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide
SMILESCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO4S/c1-9-3-4-13(10(14)7-9)20(16,17)15-11-5-6-19-8-12(11)18-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3/t11-,12-/m1/s1
InChIKeySASJZIVHDXRANU-VXGBXAGGSA-N
MW303.36 g/mol
LogP1.22
Rot. Bonds4

About 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide

2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide (PubChem CID 91772450) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide
PubChem CID91772450
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Name2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide
SMILESCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO4S/c1-9-3-4-13(10(14)7-9)20(16,17)15-11-5-6-19-8-12(11)18-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3/t11-,12-/m1/s1
InChIKeySASJZIVHDXRANU-VXGBXAGGSA-N
XLogP1.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide 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

N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 164631156
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
3-fluoro-4-[(2-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 79177880
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
2-chloro-4-fluoro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-5-methylbenzenesulfonamide
CID 91774576
4-bromo-2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 104889684
1-ethyl-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylpyrazole-4-sulfonamide
CID 91765175
2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide
CID 91780375
2-[(3S,4R)-4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91761890
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide (CID 91772450) is 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide is CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is SASJZIVHDXRANU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-9-3-4-13(10(14)7-9)20(16,17)15-11-5-6-19-8-12(11)18-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide?
2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 303.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 91772450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).