2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide

C13H15N3O2S — CID 2851475

IUPAC2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccn2)c(C)c1
InChIInChI=1S/C13H15N3O2S/c1-9-7-10(2)12(11(3)8-9)19(17,18)16-13-14-5-4-6-15-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyROELGVDAONUYEX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.20
Rot. Bonds3

About 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide

2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 2851475) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID2851475
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccn2)c(C)c1
InChIInChI=1S/C13H15N3O2S/c1-9-7-10(2)12(11(3)8-9)19(17,18)16-13-14-5-4-6-15-13/h4-8H,1-3H3,(H,14,15,16)
InChIKeyROELGVDAONUYEX-UHFFFAOYSA-N
XLogP2.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 2851475) is 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ncccn2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is ROELGVDAONUYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-7-10(2)12(11(3)8-9)19(17,18)16-13-14-5-4-6-15-13/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2851475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).