N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide

C11H10ClN3O2S — CID 44627479

IUPACN-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7,15H,1H3
InChIKeyHACMKFXLXVYSBG-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.17
Rot. Bonds3

About N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide

N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide (PubChem CID 44627479) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide
PubChem CID44627479
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC NameN-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7,15H,1H3
InChIKeyHACMKFXLXVYSBG-UHFFFAOYSA-N
XLogP2.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide (CID 44627479) is N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccnc(Cl)n2)cc1.
What is the InChIKey of N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide?
The InChIKey is HACMKFXLXVYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-18(16,17)15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7,15H,1H3.
What are the key properties of N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide?
N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloropyrimidin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 44627479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).