4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide

C15H18FN3O3S — CID 113010405

IUPAC4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-11-9-13(4-5-14(11)16)23(20,21)19-12-3-6-15(18-10-12)17-7-8-22-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyPDOJCWSORHZDNO-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.39
Rot. Bonds7

About 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide

4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113010405) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113010405
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-11-9-13(4-5-14(11)16)23(20,21)19-12-3-6-15(18-10-12)17-7-8-22-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyPDOJCWSORHZDNO-UHFFFAOYSA-N
XLogP2.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
CID 113009140
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113020457

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide (CID 113010405) is 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cn1.
What is the InChIKey of 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is PDOJCWSORHZDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-11-9-13(4-5-14(11)16)23(20,21)19-12-3-6-15(18-10-12)17-7-8-22-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113010405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).