3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide

C16H20FN3O3S — CID 128975568

IUPAC3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C16H20FN3O3S/c1-20-8-7-18-16(20)15(12-5-9-23-10-6-12)19-24(21,22)14-4-2-3-13(17)11-14/h2-4,7-8,11-12,15,19H,5-6,9-10H2,1H3
InChIKeyMXKCHLINPMHDAG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.01
Rot. Bonds5

About 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide

3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide (PubChem CID 128975568) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide
PubChem CID128975568
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C16H20FN3O3S/c1-20-8-7-18-16(20)15(12-5-9-23-10-6-12)19-24(21,22)14-4-2-3-13(17)11-14/h2-4,7-8,11-12,15,19H,5-6,9-10H2,1H3
InChIKeyMXKCHLINPMHDAG-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92634109
3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 17417989
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
CID 42937633
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24541159
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483597
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide (CID 128975568) is 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide is Cn1ccnc1C(NS(=O)(=O)c1cccc(F)c1)C1CCOCC1.
What is the InChIKey of 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is MXKCHLINPMHDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-20-8-7-18-16(20)15(12-5-9-23-10-6-12)19-24(21,22)14-4-2-3-13(17)11-14/h2-4,7-8,11-12,15,19H,5-6,9-10H2,1H3.
What are the key properties of 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide?
3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 128975568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).