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

C14H16F2N4O2S — CID 122322658

IUPAC1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1ccnc(CNS(=O)(=O)Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H16F2N4O2S/c1-20(2)14-3-4-17-13(19-14)8-18-23(21,22)9-10-5-11(15)7-12(16)6-10/h3-7,18H,8-9H2,1-2H3
InChIKeyJRRADDSVFQHUIN-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.44
Rot. Bonds6

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

1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide (PubChem CID 122322658) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
PubChem CID122322658
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1ccnc(CNS(=O)(=O)Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H16F2N4O2S/c1-20(2)14-3-4-17-13(19-14)8-18-23(21,22)9-10-5-11(15)7-12(16)6-10/h3-7,18H,8-9H2,1-2H3
InChIKeyJRRADDSVFQHUIN-UHFFFAOYSA-N
XLogP1.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122322649
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923
1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide
CID 122254658
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 122322703
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzenesulfonamide
CID 122322642
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967076
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122322701
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide (CID 122322658) is 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide is CN(C)c1ccnc(CNS(=O)(=O)Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
The InChIKey is JRRADDSVFQHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-20(2)14-3-4-17-13(19-14)8-18-23(21,22)9-10-5-11(15)7-12(16)6-10/h3-7,18H,8-9H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide has a molecular weight of 342.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 122322658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).