1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

C16H18F2N4O2S — CID 122352132

IUPAC1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C16H18F2N4O2S/c17-13-3-4-15(18)12(9-13)11-25(23,24)20-10-14-5-6-19-16(21-14)22-7-1-2-8-22/h3-6,9,20H,1-2,7-8,10-11H2
InChIKeyLZRUTZGLMFVDLP-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.97
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (PubChem CID 122352132) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
PubChem CID122352132
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C16H18F2N4O2S/c17-13-3-4-15(18)12(9-13)11-25(23,24)20-10-14-5-6-19-16(21-14)22-7-1-2-8-22/h3-6,9,20H,1-2,7-8,10-11H2
InChIKeyLZRUTZGLMFVDLP-UHFFFAOYSA-N
XLogP1.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 91967200
1-(2,5-difluorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
CID 122356720
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
1-(3-methylphenyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353250
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967301
5-chloro-2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353239
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352951
1-(2,5-difluorophenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122295785
3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (CID 122352132) is 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCc1ccnc(N2CCCC2)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The InChIKey is LZRUTZGLMFVDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c17-13-3-4-15(18)12(9-13)11-25(23,24)20-10-14-5-6-19-16(21-14)22-7-1-2-8-22/h3-6,9,20H,1-2,7-8,10-11H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122352132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).