N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide

C6H6Cl3N3O2S — CID 86624849

IUPACN-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide
SMILESCN(c1nc(Cl)nc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C6H6Cl3N3O2S/c1-12(15(2,13)14)5-3(7)4(8)10-6(9)11-5/h1-2H3
InChIKeyQBYXDSJBZKXTMV-UHFFFAOYSA-N
MW290.56 g/mol
LogP1.83
Rot. Bonds2

About N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide

N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide (PubChem CID 86624849) has the molecular formula C6H6Cl3N3O2S and a molecular weight of 290.56 g/mol. Its IUPAC name is N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide
PubChem CID86624849
Molecular FormulaC6H6Cl3N3O2S
Molecular Weight290.56 g/mol
Exact Mass288.92
IUPAC NameN-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide
SMILESCN(c1nc(Cl)nc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C6H6Cl3N3O2S/c1-12(15(2,13)14)5-3(7)4(8)10-6(9)11-5/h1-2H3
InChIKeyQBYXDSJBZKXTMV-UHFFFAOYSA-N
XLogP1.83
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.56
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichloro-5-fluoro-pyrimidin-4-yl)-N-methyl-methanesulfonamide
CID 86624844
N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
CID 91341730
(4,6-Dichloro-5-fluoropyrimidin-2-yl) methanesulfonate
CID 122590224
N-(5,6-dichloropyrimidin-4-yl)-1,1-difluoromethanesulfonamide
CID 108176425
N-(5,6-dichloropyrimidin-4-yl)-1,1,1-trifluoromethanesulfonamide
CID 108176542
2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine
CID 22899423
sodium N-(2,5,6-trichloropyrimidin-4-yl)sulfamate
CID 57543992
(2,5,6-Trichloropyrimidin-4-yl)sulfamic acid
CID 57543993
4,5,6-Trichloro-2-(methylsulfonyl)pyrimidine
CID 85979298
N,N',N'-trimethyl-N-(2,5,6-trichloropyrimidin-4-yl)sulfamide
CID 86624846
5,6-Dichloro-2-methylsulfinylpyrimidin-4-amine
CID 90303757
N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide
CID 91340385

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide (CID 86624849) is N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide is CN(c1nc(Cl)nc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide?
The InChIKey is QBYXDSJBZKXTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3O2S/c1-12(15(2,13)14)5-3(7)4(8)10-6(9)11-5/h1-2H3.
What are the key properties of N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide?
N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide has a molecular weight of 290.56 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,5,6-trichloropyrimidin-4-yl)methanesulfonamide is sourced from PubChem (CID 86624849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).