N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide

C9H12ClFN2O3S — CID 106185548

IUPACN-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
SMILESCOCC(CCl)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H12ClFN2O3S/c1-16-6-8(3-10)13-17(14,15)9-2-7(11)4-12-5-9/h2,4-5,8,13H,3,6H2,1H3
InChIKeyHUHTXMYZXZBQLJ-UHFFFAOYSA-N
MW282.72 g/mol
LogP0.75
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide

N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide (PubChem CID 106185548) has the molecular formula C9H12ClFN2O3S and a molecular weight of 282.72 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
PubChem CID106185548
Molecular FormulaC9H12ClFN2O3S
Molecular Weight282.72 g/mol
Exact Mass282.02
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
SMILESCOCC(CCl)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H12ClFN2O3S/c1-16-6-8(3-10)13-17(14,15)9-2-7(11)4-12-5-9/h2,4-5,8,13H,3,6H2,1H3
InChIKeyHUHTXMYZXZBQLJ-UHFFFAOYSA-N
XLogP0.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 50.75
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

N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 106185346
N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
CID 65033552
3-[5-(1-methoxybutan-2-ylsulfamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77035798
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
CID 43456403

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide (CID 106185548) is N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide is COCC(CCl)NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is HUHTXMYZXZBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O3S/c1-16-6-8(3-10)13-17(14,15)9-2-7(11)4-12-5-9/h2,4-5,8,13H,3,6H2,1H3.
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide?
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 282.72 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 106185548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).