N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide

C11H14BrFN2O3S — CID 106301327

IUPACN-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCOCC1)c1cncc(F)c1
InChIInChI=1S/C11H14BrFN2O3S/c12-8-11(1-3-18-4-2-11)15-19(16,17)10-5-9(13)6-14-7-10/h5-7,15H,1-4,8H2
InChIKeyFZEZMDYXZARRHC-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.44
Rot. Bonds4

About N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide

N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide (PubChem CID 106301327) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide
PubChem CID106301327
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC NameN-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCOCC1)c1cncc(F)c1
InChIInChI=1S/C11H14BrFN2O3S/c12-8-11(1-3-18-4-2-11)15-19(16,17)10-5-9(13)6-14-7-10/h5-7,15H,1-4,8H2
InChIKeyFZEZMDYXZARRHC-UHFFFAOYSA-N
XLogP1.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-3-sulfonamide
CID 113431326
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114
N-[4-(bromomethyl)oxan-4-yl]-2-chloro-5-fluorobenzenesulfonamide
CID 106301301
2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid
CID 166239334
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide
CID 63765090
N-[4-(bromomethyl)oxan-4-yl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 114170642
4-[(5-fluoro-3-pyridinyl)sulfonyl]morpholine
CID 62039673
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide
CID 114951778
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-sulfonamide
CID 115754017
1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312114
3,4-dichloro-N-[4-(chloromethyl)oxan-4-yl]benzenesulfonamide
CID 106301402
N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
CID 63889394

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide (CID 106301327) is N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide is O=S(=O)(NC1(CBr)CCOCC1)c1cncc(F)c1.
What is the InChIKey of N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide?
The InChIKey is FZEZMDYXZARRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c12-8-11(1-3-18-4-2-11)15-19(16,17)10-5-9(13)6-14-7-10/h5-7,15H,1-4,8H2.
What are the key properties of N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide?
N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide has a molecular weight of 353.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 106301327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).