1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide

C12H12ClN3O3S — CID 122301719

IUPAC1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(=O)(=O)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O3S/c1-19-12-14-6-11(7-15-12)16-20(17,18)8-9-3-2-4-10(13)5-9/h2-7,16H,8H2,1H3
InChIKeyZTEBJHHASFOMQK-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.08
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide

1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide (PubChem CID 122301719) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
PubChem CID122301719
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(=O)(=O)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O3S/c1-19-12-14-6-11(7-15-12)16-20(17,18)8-9-3-2-4-10(13)5-9/h2-7,16H,8H2,1H3
InChIKeyZTEBJHHASFOMQK-UHFFFAOYSA-N
XLogP2.08
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide
CID 122304215
1-(3,5-difluorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301682
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
CID 90595959
ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate
CID 46770198
N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide
CID 103868547
1-(3-chlorophenyl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]methanesulfonamide
CID 122309912
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 90498317
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301669
N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide
CID 86580562

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide (CID 122301719) is 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide is COc1ncc(NS(=O)(=O)Cc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
The InChIKey is ZTEBJHHASFOMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-19-12-14-6-11(7-15-12)16-20(17,18)8-9-3-2-4-10(13)5-9/h2-7,16H,8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide?
1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 122301719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).