2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine

C11H9ClN2O2S — CID 54138788

IUPAC2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
SMILESCc1nc(S(=O)(=O)c2ccccc2)ncc1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-8-10(12)7-13-11(14-8)17(15,16)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyPFNSULRZHGFTNH-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.27
Rot. Bonds2

About 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine

2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine (PubChem CID 54138788) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
PubChem CID54138788
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
SMILESCc1nc(S(=O)(=O)c2ccccc2)ncc1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-8-10(12)7-13-11(14-8)17(15,16)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyPFNSULRZHGFTNH-UHFFFAOYSA-N
XLogP2.27
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine?
The IUPAC name of 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine (CID 54138788) is 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine.
What is the SMILES notation for 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine?
The canonical SMILES for 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine is Cc1nc(S(=O)(=O)c2ccccc2)ncc1Cl.
What is the InChIKey of 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine?
The InChIKey is PFNSULRZHGFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-8-10(12)7-13-11(14-8)17(15,16)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine?
2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine has a molecular weight of 268.73 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine is sourced from PubChem (CID 54138788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).