N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide

C14H17FN4O2S — CID 122322649

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCN(C)c1ccnc(CNS(=O)(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)14-6-7-16-13(18-14)9-17-22(20,21)10-11-4-3-5-12(15)8-11/h3-8,17H,9-10H2,1-2H3
InChIKeyJYHWKKQPWHWRRC-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.30
Rot. Bonds6

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

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 122322649) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID122322649
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCN(C)c1ccnc(CNS(=O)(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4O2S/c1-19(2)14-6-7-16-13(18-14)9-17-22(20,21)10-11-4-3-5-12(15)8-11/h3-8,17H,9-10H2,1-2H3
InChIKeyJYHWKKQPWHWRRC-UHFFFAOYSA-N
XLogP1.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
CID 122322658
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382201
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 122322703
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122322701
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967076
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122264174
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 53163283
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide (CID 122322649) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide is CN(C)c1ccnc(CNS(=O)(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is JYHWKKQPWHWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-19(2)14-6-7-16-13(18-14)9-17-22(20,21)10-11-4-3-5-12(15)8-11/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 324.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 122322649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).