N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide

C10H14ClFN2O3S — CID 106245517

IUPACN-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H14ClFN2O3S/c1-17-7-8(11)2-3-14-18(15,16)10-4-9(12)5-13-6-10/h4-6,8,14H,2-3,7H2,1H3
InChIKeyYASMZJOYBJZFOC-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.14
Rot. Bonds7

About N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide

N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide (PubChem CID 106245517) has the molecular formula C10H14ClFN2O3S and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
PubChem CID106245517
Molecular FormulaC10H14ClFN2O3S
Molecular Weight296.75 g/mol
Exact Mass296.04
IUPAC NameN-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H14ClFN2O3S/c1-17-7-8(11)2-3-14-18(15,16)10-4-9(12)5-13-6-10/h4-6,8,14H,2-3,7H2,1H3
InChIKeyYASMZJOYBJZFOC-UHFFFAOYSA-N
XLogP1.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.14
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

methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 106185548
N-(3-chloro-4-methoxybutyl)-4-methoxybenzenesulfonamide
CID 106245506
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
CID 80505696
N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
CID 62664626
4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
CID 106245450
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434
2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
CID 114163439
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
CID 114163434

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide (CID 106245517) is N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide is COCC(Cl)CCNS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is YASMZJOYBJZFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O3S/c1-17-7-8(11)2-3-14-18(15,16)10-4-9(12)5-13-6-10/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide?
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 296.75 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 106245517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).