N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide

C26H24FN3O4S — CID 58975021

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide
SMILESO=C(NCc1cncc(F)c1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C26H24FN3O4S/c27-21-13-18(14-28-16-21)15-29-26(31)20-5-7-22(8-6-20)35(32,33)30-17-24(19-9-11-34-12-10-19)23-3-1-2-4-25(23)30/h1-8,13-14,16-17,19H,9-12,15H2,(H,29,31)
InChIKeyNXLNGQHRBQEZND-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.24
Rot. Bonds6

About N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide

N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide (PubChem CID 58975021) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide
PubChem CID58975021
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide
SMILESO=C(NCc1cncc(F)c1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C26H24FN3O4S/c27-21-13-18(14-28-16-21)15-29-26(31)20-5-7-22(8-6-20)35(32,33)30-17-24(19-9-11-34-12-10-19)23-3-1-2-4-25(23)30/h1-8,13-14,16-17,19H,9-12,15H2,(H,29,31)
InChIKeyNXLNGQHRBQEZND-UHFFFAOYSA-N
XLogP4.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide (CID 58975021) is N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide is O=C(NCc1cncc(F)c1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide?
The InChIKey is NXLNGQHRBQEZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c27-21-13-18(14-28-16-21)15-29-26(31)20-5-7-22(8-6-20)35(32,33)30-17-24(19-9-11-34-12-10-19)23-3-1-2-4-25(23)30/h1-8,13-14,16-17,19H,9-12,15H2,(H,29,31).
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide?
N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide has a molecular weight of 493.56 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-4-[3-(oxan-4-yl)indol-1-yl]sulfonylbenzamide is sourced from PubChem (CID 58975021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).