N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide

C13H15FN4O2S — CID 91967734

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4O2S/c1-18(2)13-15-8-7-11(17-13)9-16-21(19,20)12-5-3-10(14)4-6-12/h3-8,16H,9H2,1-2H3
InChIKeyUQNPNHYTNCGEJJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.16
Rot. Bonds5

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 91967734) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID91967734
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCN(C)c1nccc(CNS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4O2S/c1-18(2)13-15-8-7-11(17-13)9-16-21(19,20)12-5-3-10(14)4-6-12/h3-8,16H,9H2,1-2H3
InChIKeyUQNPNHYTNCGEJJ-UHFFFAOYSA-N
XLogP1.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91967754
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122354462
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967732
2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
CID 122354229
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967753
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 122354453
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
4-fluoro-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 110118016
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122354460
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122354451
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126991

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide (CID 91967734) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide is CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is UQNPNHYTNCGEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-18(2)13-15-8-7-11(17-13)9-16-21(19,20)12-5-3-10(14)4-6-12/h3-8,16H,9H2,1-2H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 91967734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).