4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C12H13BrN4O2S — CID 8310

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IUPAC4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br
InChIInChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyKWXCNODTHBHSIQ-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.24
Rot. Bonds3

About 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 8310) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID8310
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC Name4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br
InChIInChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyKWXCNODTHBHSIQ-UHFFFAOYSA-N
XLogP2.24
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfamethazine
CID 5327
Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
N4-Acetylsulfamethazine
CID 66855
Sulfadiazine Sodium
CID 15899898
Ro 04-6790
CID 5312145
Sulfamerazine Sodium
CID 15899899
Sulfaclomide
CID 71168
4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide
CID 2608

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 8310) is 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br.
What is the InChIKey of 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is KWXCNODTHBHSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 8310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).