4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide

C20H18FN3O3S — CID 5165428

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-14-15-3-5-17(6-4-15)20(25)23-13-16-2-1-11-22-12-16/h1-12,24H,13-14H2,(H,23,25)
InChIKeyXVMFFIALWXXWPW-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.63
Rot. Bonds7

About 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 5165428) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID5165428
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-14-15-3-5-17(6-4-15)20(25)23-13-16-2-1-11-22-12-16/h1-12,24H,13-14H2,(H,23,25)
InChIKeyXVMFFIALWXXWPW-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-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 5165428) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XVMFFIALWXXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-14-15-3-5-17(6-4-15)20(25)23-13-16-2-1-11-22-12-16/h1-12,24H,13-14H2,(H,23,25).
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)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-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 5165428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).