2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide

C18H18F2N4O3S — CID 11654408

IUPAC2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(F)cc1F)c1nccc(-c2ccco2)n1
InChIInChI=1S/C18H18F2N4O3S/c1-23(18-21-8-7-15(22-18)16-4-3-11-27-16)9-10-24(2)28(25,26)17-6-5-13(19)12-14(17)20/h3-8,11-12H,9-10H2,1-2H3
InChIKeyURDLOPQNPSEIFP-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.77
Rot. Bonds7

About 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide

2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 11654408) has the molecular formula C18H18F2N4O3S and a molecular weight of 408.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide
PubChem CID11654408
Molecular FormulaC18H18F2N4O3S
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC Name2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(F)cc1F)c1nccc(-c2ccco2)n1
InChIInChI=1S/C18H18F2N4O3S/c1-23(18-21-8-7-15(22-18)16-4-3-11-27-16)9-10-24(2)28(25,26)17-6-5-13(19)12-14(17)20/h3-8,11-12H,9-10H2,1-2H3
InChIKeyURDLOPQNPSEIFP-UHFFFAOYSA-N
XLogP2.77
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide (CID 11654408) is 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide is CN(CCN(C)S(=O)(=O)c1ccc(F)cc1F)c1nccc(-c2ccco2)n1.
What is the InChIKey of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is URDLOPQNPSEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S/c1-23(18-21-8-7-15(22-18)16-4-3-11-27-16)9-10-24(2)28(25,26)17-6-5-13(19)12-14(17)20/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide?
2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 408.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 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]-methylamino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 11654408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).