2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide

C12H16FNO3S — CID 55210333

IUPAC2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-11-3-1-2-4-12(11)18(15,16)14-9-10-5-7-17-8-6-10/h1-4,10,14H,5-9H2
InChIKeyFQMOKLOIDKICDT-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.53
Rot. Bonds4

About 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide

2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 55210333) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID55210333
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-11-3-1-2-4-12(11)18(15,16)14-9-10-5-7-17-8-6-10/h1-4,10,14H,5-9H2
InChIKeyFQMOKLOIDKICDT-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenylsulfonamide, 2d
CID 10084784
3-Fluoro-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 110875683
4-fluoro-N-(3-methylbutyl)benzene-1-sulfonamide
CID 669765
4-Fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 63713192
2-Fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 63713361
N-Methyl-N-[(oxan-4-YL)methyl]benzenesulfonamide
CID 64417440
2,4-Difluoro-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686922
4-Fluoro-3-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686923
3,4-Difluoro-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686926
3-Fluoro-N-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686944
2,5-Difluoro-N-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686946
3,4-Difluoro-N-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686947

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 55210333) is 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is FQMOKLOIDKICDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-3-1-2-4-12(11)18(15,16)14-9-10-5-7-17-8-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55210333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).