2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide

C18H15ClFN3O4S — CID 24662805

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)Nc1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O4S/c19-17-8-7-16(10-21-17)28(25,26)23(11-15-2-1-9-27-15)12-18(24)22-14-5-3-13(20)4-6-14/h1-10H,11-12H2,(H,22,24)
InChIKeyMGFUNRCZOFQDMA-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.30
Rot. Bonds7

About 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide

2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide (PubChem CID 24662805) has the molecular formula C18H15ClFN3O4S and a molecular weight of 423.85 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
PubChem CID24662805
Molecular FormulaC18H15ClFN3O4S
Molecular Weight423.85 g/mol
Exact Mass423.05
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)Nc1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O4S/c19-17-8-7-16(10-21-17)28(25,26)23(11-15-2-1-9-27-15)12-18(24)22-14-5-3-13(20)4-6-14/h1-10H,11-12H2,(H,22,24)
InChIKeyMGFUNRCZOFQDMA-UHFFFAOYSA-N
XLogP3.30
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,5-difluorophenyl)acetamide
CID 24662836
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 24653292
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 24662826
N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 24662820
N-[(2-chlorophenyl)methyl]-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 24653295
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 24653336
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
CID 3202218

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide (CID 24662805) is 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is MGFUNRCZOFQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4S/c19-17-8-7-16(10-21-17)28(25,26)23(11-15-2-1-9-27-15)12-18(24)22-14-5-3-13(20)4-6-14/h1-10H,11-12H2,(H,22,24).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide?
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 423.85 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 24662805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).