1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide

C16H18F2N4O3S — CID 122318923

IUPAC1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C16H18F2N4O3S/c17-13-7-12(8-14(18)9-13)11-26(23,24)20-10-15-19-2-1-16(21-15)22-3-5-25-6-4-22/h1-2,7-9,20H,3-6,10-11H2
InChIKeyUQLHQTAUDIQQLR-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.21
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide (PubChem CID 122318923) has the molecular formula C16H18F2N4O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
PubChem CID122318923
Molecular FormulaC16H18F2N4O3S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C16H18F2N4O3S/c17-13-7-12(8-14(18)9-13)11-26(23,24)20-10-15-19-2-1-16(21-15)22-3-5-25-6-4-22/h1-2,7-9,20H,3-6,10-11H2
InChIKeyUQLHQTAUDIQQLR-UHFFFAOYSA-N
XLogP1.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318910
1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318950
2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122318899
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
CID 122322658
1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
CID 122318920
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide (CID 122318923) is 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cc(F)cc(F)c1)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
The InChIKey is UQLHQTAUDIQQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S/c17-13-7-12(8-14(18)9-13)11-26(23,24)20-10-15-19-2-1-16(21-15)22-3-5-25-6-4-22/h1-2,7-9,20H,3-6,10-11H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide has a molecular weight of 384.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122318923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).