N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C19H15ClF2N4O3S — CID 118249100

IUPACN-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3cc(F)ccc3F)c2C)ccn1
InChIInChI=1S/C19H15ClF2N4O3S/c1-10-14(12-5-6-23-17(7-12)25-11(2)27)9-24-19(20)18(10)26-30(28,29)16-8-13(21)3-4-15(16)22/h3-9,26H,1-2H3,(H,23,25,27)
InChIKeyKCWCDTASEGAHJV-UHFFFAOYSA-N
MW452.87 g/mol
LogP4.14
Rot. Bonds5

About N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249100) has the molecular formula C19H15ClF2N4O3S and a molecular weight of 452.87 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249100
Molecular FormulaC19H15ClF2N4O3S
Molecular Weight452.87 g/mol
Exact Mass452.05
IUPAC NameN-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3cc(F)ccc3F)c2C)ccn1
InChIInChI=1S/C19H15ClF2N4O3S/c1-10-14(12-5-6-23-17(7-12)25-11(2)27)9-24-19(20)18(10)26-30(28,29)16-8-13(21)3-4-15(16)22/h3-9,26H,1-2H3,(H,23,25,27)
InChIKeyKCWCDTASEGAHJV-UHFFFAOYSA-N
XLogP4.14
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.87
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249100) is N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3cc(F)ccc3F)c2C)ccn1.
What is the InChIKey of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is KCWCDTASEGAHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O3S/c1-10-14(12-5-6-23-17(7-12)25-11(2)27)9-24-19(20)18(10)26-30(28,29)16-8-13(21)3-4-15(16)22/h3-9,26H,1-2H3,(H,23,25,27).
What are the key properties of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 452.87 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).