4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C13H13FN2O3S — CID 1106582

IUPAC4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(F)ccc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C13H13FN2O3S/c1-19-12-7-11(14)4-5-13(12)20(17,18)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3
InChIKeyRFEPTXXKGBYTIO-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.71
Rot. Bonds5

About 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1106582) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1106582
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(F)ccc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C13H13FN2O3S/c1-19-12-7-11(14)4-5-13(12)20(17,18)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3
InChIKeyRFEPTXXKGBYTIO-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
4-(4-Cyanophenoxy)-3-pyridinesulfonamide
CID 46703769
3-{4-Methoxy-3-[(pyridin-3-ylmethyl)-sulfamoyl]-phenyl}-acrylic acid
CID 711415
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
Pyroxsulam N-cyan-sulfonamide
CID 139597290
4-(4-Fluorophenoxy)-3-pyridinesulfonamide
CID 46703770
(2R)-2-[(6-fluoro-3-pyridinyl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 23657422
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1106582) is 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1cc(F)ccc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is RFEPTXXKGBYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-19-12-7-11(14)4-5-13(12)20(17,18)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3.
What are the key properties of 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1106582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).