3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide

C13H12FN3O3S — CID 62113980

IUPAC3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CS(=O)(=O)c2ccncc2N)c1
InChIInChI=1S/C13H12FN3O3S/c14-10-2-1-8(13(16)18)5-9(10)7-21(19,20)12-3-4-17-6-11(12)15/h1-6H,7,15H2,(H2,16,18)
InChIKeyUCSRCWOBWUDIBF-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.88
Rot. Bonds4

About 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide

3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide (PubChem CID 62113980) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide
PubChem CID62113980
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CS(=O)(=O)c2ccncc2N)c1
InChIInChI=1S/C13H12FN3O3S/c14-10-2-1-8(13(16)18)5-9(10)7-21(19,20)12-3-4-17-6-11(12)15/h1-6H,7,15H2,(H2,16,18)
InChIKeyUCSRCWOBWUDIBF-UHFFFAOYSA-N
XLogP0.88
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide (CID 62113980) is 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(CS(=O)(=O)c2ccncc2N)c1.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide?
The InChIKey is UCSRCWOBWUDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c14-10-2-1-8(13(16)18)5-9(10)7-21(19,20)12-3-4-17-6-11(12)15/h1-6H,7,15H2,(H2,16,18).
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide?
3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide has a molecular weight of 309.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide is sourced from PubChem (CID 62113980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).