2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide

C8H12ClN3O3S — CID 107652681

IUPAC2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)CCCl)n1
InChIInChI=1S/C8H12ClN3O3S/c1-6-5-7(15-2)11-8(10-6)12-16(13,14)4-3-9/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyWHTMHKNGQJWILF-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.77
Rot. Bonds5

About 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide

2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide (PubChem CID 107652681) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
PubChem CID107652681
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)CCCl)n1
InChIInChI=1S/C8H12ClN3O3S/c1-6-5-7(15-2)11-8(10-6)12-16(13,14)4-3-9/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyWHTMHKNGQJWILF-UHFFFAOYSA-N
XLogP0.77
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
CID 107602665
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106089579
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104599523
1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide (CID 107652681) is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide is COc1cc(C)nc(NS(=O)(=O)CCCl)n1.
What is the InChIKey of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
The InChIKey is WHTMHKNGQJWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-6-5-7(15-2)11-8(10-6)12-16(13,14)4-3-9/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide has a molecular weight of 265.72 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide is sourced from PubChem (CID 107652681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).