N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide

C8H12ClN3O2S — CID 118953581

IUPACN-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(c1ccnc(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C8H12ClN3O2S/c1-6(2)12(15(3,13)14)7-4-5-10-8(9)11-7/h4-6H,1-3H3
InChIKeyOZOYASDSRLFKLP-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.30
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide

N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 118953581) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID118953581
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC NameN-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(c1ccnc(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C8H12ClN3O2S/c1-6(2)12(15(3,13)14)7-4-5-10-8(9)11-7/h4-6H,1-3H3
InChIKeyOZOYASDSRLFKLP-UHFFFAOYSA-N
XLogP1.30
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide (CID 118953581) is N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide is CC(C)N(c1ccnc(Cl)n1)S(C)(=O)=O.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is OZOYASDSRLFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-6(2)12(15(3,13)14)7-4-5-10-8(9)11-7/h4-6H,1-3H3.
What are the key properties of N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide?
N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 118953581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).