2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide

C15H16F2N4O3S — CID 122318910

IUPAC2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nccc(N2CCOCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O3S/c16-11-2-1-3-12(17)15(11)25(22,23)19-10-13-18-5-4-14(20-13)21-6-8-24-9-7-21/h1-5,19H,6-10H2
InChIKeyVAKNGTYFIFRZCK-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.07
Rot. Bonds5

About 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide

2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 122318910) has the molecular formula C15H16F2N4O3S and a molecular weight of 370.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID122318910
Molecular FormulaC15H16F2N4O3S
Molecular Weight370.38 g/mol
Exact Mass370.09
IUPAC Name2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nccc(N2CCOCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O3S/c16-11-2-1-3-12(17)15(11)25(22,23)19-10-13-18-5-4-14(20-13)21-6-8-24-9-7-21/h1-5,19H,6-10H2
InChIKeyVAKNGTYFIFRZCK-UHFFFAOYSA-N
XLogP1.07
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923
1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077
(E)-3-(2-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318884
1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318950
(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
CID 122318920
2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122318899
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966700
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide (CID 122318910) is 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is VAKNGTYFIFRZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3S/c16-11-2-1-3-12(17)15(11)25(22,23)19-10-13-18-5-4-14(20-13)21-6-8-24-9-7-21/h1-5,19H,6-10H2.
What are the key properties of 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 370.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122318910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).