4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide

C20H18FN3O3S — CID 155516101

IUPAC4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2cccnc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3S/c21-18-9-7-17(8-10-18)20(25)23-12-15-3-5-16(6-4-15)13-24-28(26,27)19-2-1-11-22-14-19/h1-11,14,24H,12-13H2,(H,23,25)
InChIKeyASQKANCHQVUCKO-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.63
Rot. Bonds7

About 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide

4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide (PubChem CID 155516101) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide
PubChem CID155516101
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2cccnc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3S/c21-18-9-7-17(8-10-18)20(25)23-12-15-3-5-16(6-4-15)13-24-28(26,27)19-2-1-11-22-14-19/h1-11,14,24H,12-13H2,(H,23,25)
InChIKeyASQKANCHQVUCKO-UHFFFAOYSA-N
XLogP2.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide (CID 155516101) is 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(CNS(=O)(=O)c2cccnc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide?
The InChIKey is ASQKANCHQVUCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-18-9-7-17(8-10-18)20(25)23-12-15-3-5-16(6-4-15)13-24-28(26,27)19-2-1-11-22-14-19/h1-11,14,24H,12-13H2,(H,23,25).
What are the key properties of 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide?
4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 155516101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).