N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide

C14H13FN2O3S — CID 71852505

IUPACN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)c2cccnc2)cc1F
InChIInChI=1S/C14H13FN2O3S/c1-21(19,20)9-11-4-5-12(7-13(11)15)17-14(18)10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJOBXGBBSNKBHTO-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.02
Rot. Bonds4

About N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide

N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 71852505) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID71852505
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)c2cccnc2)cc1F
InChIInChI=1S/C14H13FN2O3S/c1-21(19,20)9-11-4-5-12(7-13(11)15)17-14(18)10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJOBXGBBSNKBHTO-UHFFFAOYSA-N
XLogP2.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide (CID 71852505) is N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide is CS(=O)(=O)Cc1ccc(NC(=O)c2cccnc2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is JOBXGBBSNKBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-21(19,20)9-11-4-5-12(7-13(11)15)17-14(18)10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide?
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71852505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).