5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C19H15ClFN3O3S — CID 126456618

IUPAC5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClFN3O3S/c20-15-3-7-18(8-4-15)28(26,27)24-17-9-14(11-22-12-17)19(25)23-10-13-1-5-16(21)6-2-13/h1-9,11-12,24H,10H2,(H,23,25)
InChIKeyWSNRNFGDLYXBQF-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.60
Rot. Bonds6

About 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 126456618) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID126456618
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClFN3O3S/c20-15-3-7-18(8-4-15)28(26,27)24-17-9-14(11-22-12-17)19(25)23-10-13-1-5-16(21)6-2-13/h1-9,11-12,24H,10H2,(H,23,25)
InChIKeyWSNRNFGDLYXBQF-UHFFFAOYSA-N
XLogP3.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 126456618) is 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WSNRNFGDLYXBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c20-15-3-7-18(8-4-15)28(26,27)24-17-9-14(11-22-12-17)19(25)23-10-13-1-5-16(21)6-2-13/h1-9,11-12,24H,10H2,(H,23,25).
What are the key properties of 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 126456618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).