5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide

C14H12FN5O2S — CID 56805732

IUPAC5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1cncc(F)c1
InChIInChI=1S/C14H12FN5O2S/c15-12-6-13(9-17-8-12)23(21,22)19-7-11-1-2-18-14(5-11)20-4-3-16-10-20/h1-6,8-10,19H,7H2
InChIKeyJKWDMXJSINKHTL-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.28
Rot. Bonds5

About 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide

5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 56805732) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID56805732
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1cncc(F)c1
InChIInChI=1S/C14H12FN5O2S/c15-12-6-13(9-17-8-12)23(21,22)19-7-11-1-2-18-14(5-11)20-4-3-16-10-20/h1-6,8-10,19H,7H2
InChIKeyJKWDMXJSINKHTL-UHFFFAOYSA-N
XLogP1.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide (CID 56805732) is 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is JKWDMXJSINKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c15-12-6-13(9-17-8-12)23(21,22)19-7-11-1-2-18-14(5-11)20-4-3-16-10-20/h1-6,8-10,19H,7H2.
What are the key properties of 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 333.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 56805732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).