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

C22H20ClFN4O3S — CID 118237996

IUPACN-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C4CC4)cc3F)c2C)ccn1
InChIInChI=1S/C22H20ClFN4O3S/c1-12-17(16-7-8-25-20(10-16)27-13(2)29)11-26-22(23)21(12)28-32(30,31)19-6-5-15(9-18(19)24)14-3-4-14/h5-11,14,28H,3-4H2,1-2H3,(H,25,27,29)
InChIKeyZMOXSKHLHDDQMH-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.88
Rot. Bonds6

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

N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118237996) has the molecular formula C22H20ClFN4O3S and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118237996
Molecular FormulaC22H20ClFN4O3S
Molecular Weight474.95 g/mol
Exact Mass474.09
IUPAC NameN-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C4CC4)cc3F)c2C)ccn1
InChIInChI=1S/C22H20ClFN4O3S/c1-12-17(16-7-8-25-20(10-16)27-13(2)29)11-26-22(23)21(12)28-32(30,31)19-6-5-15(9-18(19)24)14-3-4-14/h5-11,14,28H,3-4H2,1-2H3,(H,25,27,29)
InChIKeyZMOXSKHLHDDQMH-UHFFFAOYSA-N
XLogP4.88
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.88
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-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118237996) is N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C4CC4)cc3F)c2C)ccn1.
What is the InChIKey of N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is ZMOXSKHLHDDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3S/c1-12-17(16-7-8-25-20(10-16)27-13(2)29)11-26-22(23)21(12)28-32(30,31)19-6-5-15(9-18(19)24)14-3-4-14/h5-11,14,28H,3-4H2,1-2H3,(H,25,27,29).
What are the key properties of N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-chloro-5-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 474.95 g/mol, XLogP of 4.88, 6 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-[(4-cyclopropyl-2-fluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118237996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).