N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide

C18H14FN3O4S — CID 91937340

IUPACN-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)Cc2ccccc2O)nc1
InChIInChI=1S/C18H14FN3O4S/c19-14-6-7-16(20-10-14)22-18(24)12-5-8-17(21-9-12)27(25,26)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2,(H,20,22,24)
InChIKeyAONVBBAATUPASM-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.55
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide

N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide (PubChem CID 91937340) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide
PubChem CID91937340
Molecular FormulaC18H14FN3O4S
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)Cc2ccccc2O)nc1
InChIInChI=1S/C18H14FN3O4S/c19-14-6-7-16(20-10-14)22-18(24)12-5-8-17(21-9-12)27(25,26)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2,(H,20,22,24)
InChIKeyAONVBBAATUPASM-UHFFFAOYSA-N
XLogP2.55
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide (CID 91937340) is N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide is O=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)Cc2ccccc2O)nc1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide?
The InChIKey is AONVBBAATUPASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c19-14-6-7-16(20-10-14)22-18(24)12-5-8-17(21-9-12)27(25,26)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2,(H,20,22,24).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 91937340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).