N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide

C11H9Cl2N3O2S — CID 87944678

IUPACN-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-19(17,18)16-8-4-2-3-7(5-8)10-9(12)6-14-11(13)15-10/h2-6,16H,1H3
InChIKeyJOUQECQESHTUJC-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.82
Rot. Bonds3

About N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide

N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide (PubChem CID 87944678) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide
PubChem CID87944678
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC NameN-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-19(17,18)16-8-4-2-3-7(5-8)10-9(12)6-14-11(13)15-10/h2-6,16H,1H3
InChIKeyJOUQECQESHTUJC-UHFFFAOYSA-N
XLogP2.82
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide (CID 87944678) is N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2nc(Cl)ncc2Cl)c1.
What is the InChIKey of N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide?
The InChIKey is JOUQECQESHTUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c1-19(17,18)16-8-4-2-3-7(5-8)10-9(12)6-14-11(13)15-10/h2-6,16H,1H3.
What are the key properties of N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide?
N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide has a molecular weight of 318.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 87944678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).