4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide

C12H11N3O3S — CID 104856664

IUPAC4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cncnc2)cc1
InChIInChI=1S/C12H11N3O3S/c1-9(16)10-2-4-12(5-3-10)19(17,18)15-11-6-13-8-14-7-11/h2-8,15H,1H3
InChIKeyBUXZHQHWLIIEMS-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.48
Rot. Bonds4

About 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide

4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 104856664) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID104856664
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cncnc2)cc1
InChIInChI=1S/C12H11N3O3S/c1-9(16)10-2-4-12(5-3-10)19(17,18)15-11-6-13-8-14-7-11/h2-8,15H,1H3
InChIKeyBUXZHQHWLIIEMS-UHFFFAOYSA-N
XLogP1.48
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
2-[4-(pyrimidin-5-ylsulfamoyl)phenyl]ethanethioamide
CID 107588798
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
S-[2-oxo-2-[4-(pyrimidin-5-ylsulfonylamino)phenyl]ethyl] ethanethioate
CID 11624484
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide
CID 65098765
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53056717
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide (CID 104856664) is 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cncnc2)cc1.
What is the InChIKey of 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is BUXZHQHWLIIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-9(16)10-2-4-12(5-3-10)19(17,18)15-11-6-13-8-14-7-11/h2-8,15H,1H3.
What are the key properties of 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide?
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 104856664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).