2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide

C14H17N3O2S — CID 19683576

IUPAC2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ncccn2)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-8-10(2)12(4)13(11(9)3)20(18,19)17-14-15-6-5-7-16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyJAUGDZVEPXHQGK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.51
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide

2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 19683576) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID19683576
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ncccn2)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-8-10(2)12(4)13(11(9)3)20(18,19)17-14-15-6-5-7-16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyJAUGDZVEPXHQGK-UHFFFAOYSA-N
XLogP2.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472
4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107327746
2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 69387275
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
3,5-dimethyl-4-(pyrimidin-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423429
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 4997496
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
2,3,4,5,6-pentamethyl-N-[2-(pyrimidin-2-ylamino)ethyl]benzenesulfonamide
CID 99809501
3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386974
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 104821325
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 19683576) is 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ncccn2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is JAUGDZVEPXHQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-8-10(2)12(4)13(11(9)3)20(18,19)17-14-15-6-5-7-16-14/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide?
2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 19683576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).