2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide

C10H9BrN4O2S — CID 107587465

IUPAC2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H9BrN4O2S/c11-7-1-2-10(9(12)3-7)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H,12H2
InChIKeyCTTHUJNYJFLRGT-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide

2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107587465) has the molecular formula C10H9BrN4O2S and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107587465
Molecular FormulaC10H9BrN4O2S
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC Name2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H9BrN4O2S/c11-7-1-2-10(9(12)3-7)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H,12H2
InChIKeyCTTHUJNYJFLRGT-UHFFFAOYSA-N
XLogP1.62
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.62
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

4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 43257274
5-amino-2-bromo-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587514
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 43258379
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461
2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256872
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide (CID 107587465) is 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is CTTHUJNYJFLRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2S/c11-7-1-2-10(9(12)3-7)18(16,17)15-8-4-13-6-14-5-8/h1-6,15H,12H2.
What are the key properties of 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide?
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 329.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107587465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).