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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Related Compounds

N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
CID 86675656
N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide
CID 3233458
N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 90114852
N-[3-(2-chlorothieno[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropane-2-sulfonamide
CID 153465849
3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
CID 53224449
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
CID 141144442
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanesulfonamide
CID 71014634
N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide
CID 126760459
N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
CID 66630757
N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
CID 11754161

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).