2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide

C20H18FN3O3S — CID 51274588

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H18FN3O3S/c1-14-3-2-4-19(22-14)23-20(25)13-15-5-9-17(10-6-15)24-28(26,27)18-11-7-16(21)8-12-18/h2-12,24H,13H2,1H3,(H,22,23,25)
InChIKeyZRSBRLOBESHPEP-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.51
Rot. Bonds6

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 51274588) 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-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID51274588
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H18FN3O3S/c1-14-3-2-4-19(22-14)23-20(25)13-15-5-9-17(10-6-15)24-28(26,27)18-11-7-16(21)8-12-18/h2-12,24H,13H2,1H3,(H,22,23,25)
InChIKeyZRSBRLOBESHPEP-UHFFFAOYSA-N
XLogP3.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.51
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-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide (CID 51274588) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is ZRSBRLOBESHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-14-3-2-4-19(22-14)23-20(25)13-15-5-9-17(10-6-15)24-28(26,27)18-11-7-16(21)8-12-18/h2-12,24H,13H2,1H3,(H,22,23,25).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.51, 6 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-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 51274588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).