5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide

C12H14N4O4S — CID 102945870

IUPAC5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2ncccn2)cc1N
InChIInChI=1S/C12H14N4O4S/c1-19-9-7-10(20-2)11(6-8(9)13)21(17,18)16-12-14-4-3-5-15-12/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeySYZZUPCQIGAKGY-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.88
Rot. Bonds5

About 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide

5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 102945870) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID102945870
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2ncccn2)cc1N
InChIInChI=1S/C12H14N4O4S/c1-19-9-7-10(20-2)11(6-8(9)13)21(17,18)16-12-14-4-3-5-15-12/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeySYZZUPCQIGAKGY-UHFFFAOYSA-N
XLogP0.88
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110758446
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 102946142
5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
CID 102946035
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
5-amino-2,4-dimethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392075
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide (CID 102945870) is 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)Nc2ncccn2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is SYZZUPCQIGAKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-19-9-7-10(20-2)11(6-8(9)13)21(17,18)16-12-14-4-3-5-15-12/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide?
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 310.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 102945870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).