4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide

C14H17N3O2S — CID 19683562

IUPAC4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)11-5-7-12(8-6-11)20(18,19)17-13-15-9-4-10-16-13/h4-10H,1-3H3,(H,15,16,17)
InChIKeyZCXCGTPYNMDGDO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.57
Rot. Bonds3

About 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide

4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 19683562) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID19683562
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)11-5-7-12(8-6-11)20(18,19)17-13-15-9-4-10-16-13/h4-10H,1-3H3,(H,15,16,17)
InChIKeyZCXCGTPYNMDGDO-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2938093
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
3-tert-butyl-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 42283696
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 19683562) is 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is ZCXCGTPYNMDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)11-5-7-12(8-6-11)20(18,19)17-13-15-9-4-10-16-13/h4-10H,1-3H3,(H,15,16,17).
What are the key properties of 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide?
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 19683562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).