N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide

C12H11FN2O3S — CID 103775697

IUPACN-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1
InChIInChI=1S/C12H11FN2O3S/c1-18-10-3-5-11(6-4-10)19(16,17)15-9-2-7-12(13)14-8-9/h2-8,15H,1H3
InChIKeyGEOUPNQGMMVQRF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.03
Rot. Bonds4

About N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide

N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 103775697) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID103775697
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC NameN-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1
InChIInChI=1S/C12H11FN2O3S/c1-18-10-3-5-11(6-4-10)19(16,17)15-9-2-7-12(13)14-8-9/h2-8,15H,1H3
InChIKeyGEOUPNQGMMVQRF-UHFFFAOYSA-N
XLogP2.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113015745
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide (CID 103775697) is N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is GEOUPNQGMMVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-18-10-3-5-11(6-4-10)19(16,17)15-9-2-7-12(13)14-8-9/h2-8,15H,1H3.
What are the key properties of N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide?
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103775697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).