5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide

C19H17F2N3O6S2 — CID 4914467

IUPAC5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)n1
InChIInChI=1S/C19H17F2N3O6S2/c1-29-14-8-6-12(20)10-16(14)31(25,26)23-18-4-3-5-19(22-18)24-32(27,28)17-11-13(21)7-9-15(17)30-2/h3-11H,1-2H3,(H2,22,23,24)
InChIKeyKCLOVWRNQAHUDD-UHFFFAOYSA-N
MW485.49 g/mol
LogP2.98
Rot. Bonds8

About 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide

5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide (PubChem CID 4914467) has the molecular formula C19H17F2N3O6S2 and a molecular weight of 485.49 g/mol. Its IUPAC name is 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide
PubChem CID4914467
Molecular FormulaC19H17F2N3O6S2
Molecular Weight485.49 g/mol
Exact Mass485.05
IUPAC Name5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)n1
InChIInChI=1S/C19H17F2N3O6S2/c1-29-14-8-6-12(20)10-16(14)31(25,26)23-18-4-3-5-19(22-18)24-32(27,28)17-11-13(21)7-9-15(17)30-2/h3-11H,1-2H3,(H2,22,23,24)
InChIKeyKCLOVWRNQAHUDD-UHFFFAOYSA-N
XLogP2.98
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide (CID 4914467) is 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)n1.
What is the InChIKey of 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide?
The InChIKey is KCLOVWRNQAHUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O6S2/c1-29-14-8-6-12(20)10-16(14)31(25,26)23-18-4-3-5-19(22-18)24-32(27,28)17-11-13(21)7-9-15(17)30-2/h3-11H,1-2H3,(H2,22,23,24).
What are the key properties of 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide has a molecular weight of 485.49 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-2-pyridinyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 4914467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).