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

C14H13ClF3N3O4S — CID 24662826

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)NCC(F)(F)F
InChIInChI=1S/C14H13ClF3N3O4S/c15-12-4-3-11(6-19-12)26(23,24)21(7-10-2-1-5-25-10)8-13(22)20-9-14(16,17)18/h1-6H,7-9H2,(H,20,22)
InChIKeyNNTHJKRRYRBZOH-UHFFFAOYSA-N
MW411.79 g/mol
LogP2.20
Rot. Bonds7

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

2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 24662826) has the molecular formula C14H13ClF3N3O4S and a molecular weight of 411.79 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID24662826
Molecular FormulaC14H13ClF3N3O4S
Molecular Weight411.79 g/mol
Exact Mass411.03
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)NCC(F)(F)F
InChIInChI=1S/C14H13ClF3N3O4S/c15-12-4-3-11(6-19-12)26(23,24)21(7-10-2-1-5-25-10)8-13(22)20-9-14(16,17)18/h1-6H,7-9H2,(H,20,22)
InChIKeyNNTHJKRRYRBZOH-UHFFFAOYSA-N
XLogP2.20
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.79
LogP ≤ 52.20
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

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-fluorophenyl)acetamide
CID 24662805
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 24653336
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,5-difluorophenyl)acetamide
CID 24662836
N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 24662820
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 24653292
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 4793403
2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 25498286
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
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-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 24662826) is 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)NCC(F)(F)F.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NNTHJKRRYRBZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O4S/c15-12-4-3-11(6-19-12)26(23,24)21(7-10-2-1-5-25-10)8-13(22)20-9-14(16,17)18/h1-6H,7-9H2,(H,20,22).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 411.79 g/mol, XLogP of 2.20, 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 24662826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).