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

C18H14ClF2N3O4S — CID 24653292

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H14ClF2N3O4S/c19-17-6-4-14(9-22-17)29(26,27)24(10-13-2-1-7-28-13)11-18(25)23-12-3-5-15(20)16(21)8-12/h1-9H,10-11H2,(H,23,25)
InChIKeyAUKODHBYLVIFCH-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.44
Rot. Bonds7

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

2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 24653292) has the molecular formula C18H14ClF2N3O4S and a molecular weight of 441.84 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID24653292
Molecular FormulaC18H14ClF2N3O4S
Molecular Weight441.84 g/mol
Exact Mass441.04
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H14ClF2N3O4S/c19-17-6-4-14(9-22-17)29(26,27)24(10-13-2-1-7-28-13)11-18(25)23-12-3-5-15(20)16(21)8-12/h1-9H,10-11H2,(H,23,25)
InChIKeyAUKODHBYLVIFCH-UHFFFAOYSA-N
XLogP3.44
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.44
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-(4-fluorophenyl)acetamide
CID 24662805
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-(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-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 28544810
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide (CID 24653292) is 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is AUKODHBYLVIFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O4S/c19-17-6-4-14(9-22-17)29(26,27)24(10-13-2-1-7-28-13)11-18(25)23-12-3-5-15(20)16(21)8-12/h1-9H,10-11H2,(H,23,25).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 441.84 g/mol, XLogP of 3.44, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 24653292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).