2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide

C12H13N3O4S — CID 19683567

IUPAC2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C12H13N3O4S/c1-18-9-4-5-10(19-2)11(8-9)20(16,17)15-12-13-6-3-7-14-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyZGJBKCZJAYYXKR-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.29
Rot. Bonds5

About 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide

2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 19683567) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID19683567
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C12H13N3O4S/c1-18-9-4-5-10(19-2)11(8-9)20(16,17)15-12-13-6-3-7-14-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyZGJBKCZJAYYXKR-UHFFFAOYSA-N
XLogP1.29
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110758446
N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 110732213
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide (CID 19683567) is 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ncccn2)c1.
What is the InChIKey of 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is ZGJBKCZJAYYXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-18-9-4-5-10(19-2)11(8-9)20(16,17)15-12-13-6-3-7-14-12/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 295.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 19683567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).