2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide

C20H18FN3O3S — CID 9117534

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCc1cccnc1
InChIInChI=1S/C20H18FN3O3S/c21-17-5-9-19(10-6-17)28(26,27)24-18-7-3-15(4-8-18)12-20(25)23-14-16-2-1-11-22-13-16/h1-11,13,24H,12,14H2,(H,23,25)
InChIKeyPXYZRUCQDAFCDX-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 9117534) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID9117534
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCc1cccnc1
InChIInChI=1S/C20H18FN3O3S/c21-17-5-9-19(10-6-17)28(26,27)24-18-7-3-15(4-8-18)12-20(25)23-14-16-2-1-11-22-13-16/h1-11,13,24H,12,14H2,(H,23,25)
InChIKeyPXYZRUCQDAFCDX-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide (CID 9117534) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCc1cccnc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is PXYZRUCQDAFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-17-5-9-19(10-6-17)28(26,27)24-18-7-3-15(4-8-18)12-20(25)23-14-16-2-1-11-22-13-16/h1-11,13,24H,12,14H2,(H,23,25).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 9117534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).