2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

C16H14F2N4O3S — CID 11632320

IUPAC2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nccc(-c2ccco2)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N4O3S/c17-11-3-4-15(12(18)10-11)26(23,24)21-8-7-20-16-19-6-5-13(22-16)14-2-1-9-25-14/h1-6,9-10,21H,7-8H2,(H,19,20,22)
InChIKeyQVVJMKOSRDWLEM-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.41
Rot. Bonds7

About 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 11632320) has the molecular formula C16H14F2N4O3S and a molecular weight of 380.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID11632320
Molecular FormulaC16H14F2N4O3S
Molecular Weight380.38 g/mol
Exact Mass380.08
IUPAC Name2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nccc(-c2ccco2)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N4O3S/c17-11-3-4-15(12(18)10-11)26(23,24)21-8-7-20-16-19-6-5-13(22-16)14-2-1-9-25-14/h1-6,9-10,21H,7-8H2,(H,19,20,22)
InChIKeyQVVJMKOSRDWLEM-UHFFFAOYSA-N
XLogP2.41
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16905618
2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide
CID 11654408
2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 91630514
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246883
4-N-[4-(furan-2-yl)pyrimidin-2-yl]benzene-1,4-disulfonamide
CID 126810505
4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 145437326
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 162394863
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521361
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 61128180

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (CID 11632320) is 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1nccc(-c2ccco2)n1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is QVVJMKOSRDWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3S/c17-11-3-4-15(12(18)10-11)26(23,24)21-8-7-20-16-19-6-5-13(22-16)14-2-1-9-25-14/h1-6,9-10,21H,7-8H2,(H,19,20,22).
What are the key properties of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 380.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 11632320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).