N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide

C18H21F2N5O2S — CID 139027880

IUPACN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
SMILESCN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H21F2N5O2S/c1-23(28(26,27)25-8-2-3-9-25)15-10-24(11-15)18-16(20)17(21-12-22-18)13-4-6-14(19)7-5-13/h4-7,12,15H,2-3,8-11H2,1H3
InChIKeyCFGVLFPRILHOBI-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.88
Rot. Bonds5

About N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide

N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide (PubChem CID 139027880) has the molecular formula C18H21F2N5O2S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
PubChem CID139027880
Molecular FormulaC18H21F2N5O2S
Molecular Weight409.46 g/mol
Exact Mass409.14
IUPAC NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
SMILESCN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H21F2N5O2S/c1-23(28(26,27)25-8-2-3-9-25)15-10-24(11-15)18-16(20)17(21-12-22-18)13-4-6-14(19)7-5-13/h4-7,12,15H,2-3,8-11H2,1H3
InChIKeyCFGVLFPRILHOBI-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide (CID 139027880) is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide is CN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is CFGVLFPRILHOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2S/c1-23(28(26,27)25-8-2-3-9-25)15-10-24(11-15)18-16(20)17(21-12-22-18)13-4-6-14(19)7-5-13/h4-7,12,15H,2-3,8-11H2,1H3.
What are the key properties of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide?
N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 409.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 139027880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).