1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide

C15H19ClN4O2S — CID 122356387

IUPAC1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O2S/c1-10-14(11(2)18-15(17-10)20(3)4)19-23(21,22)9-12-5-7-13(16)8-6-12/h5-8,19H,9H2,1-4H3
InChIKeyMPOYRMYSNDPXQI-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.75
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide (PubChem CID 122356387) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
PubChem CID122356387
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O2S/c1-10-14(11(2)18-15(17-10)20(3)4)19-23(21,22)9-12-5-7-13(16)8-6-12/h5-8,19H,9H2,1-4H3
InChIKeyMPOYRMYSNDPXQI-UHFFFAOYSA-N
XLogP2.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide
CID 122356388
1-(4-chlorophenyl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 122296514
1-(4-chlorophenyl)-N-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methanesulfonamide
CID 110735475
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122303319
1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide (CID 122356387) is 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide is Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
The InChIKey is MPOYRMYSNDPXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-10-14(11(2)18-15(17-10)20(3)4)19-23(21,22)9-12-5-7-13(16)8-6-12/h5-8,19H,9H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide has a molecular weight of 354.86 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]methanesulfonamide is sourced from PubChem (CID 122356387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).