5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide

C11H10Br2N4O3S — CID 81397943

IUPAC5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C11H10Br2N4O3S/c1-20-8-2-6(12)7(14)3-9(8)21(18,19)17-11-5-15-10(13)4-16-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyIMZVMGHICAVLEV-UHFFFAOYSA-N
MW438.10 g/mol
LogP2.39
Rot. Bonds4

About 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide

5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 81397943) has the molecular formula C11H10Br2N4O3S and a molecular weight of 438.10 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
PubChem CID81397943
Molecular FormulaC11H10Br2N4O3S
Molecular Weight438.10 g/mol
Exact Mass435.88
IUPAC Name5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C11H10Br2N4O3S/c1-20-8-2-6(12)7(14)3-9(8)21(18,19)17-11-5-15-10(13)4-16-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyIMZVMGHICAVLEV-UHFFFAOYSA-N
XLogP2.39
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.10
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959394
N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 115733519
3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide
CID 79889587
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
5-amino-4-bromo-2-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 81397159
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485245
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 81413594
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 81396831
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide
CID 81413600

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide (CID 81397943) is 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide is COc1cc(Br)c(N)cc1S(=O)(=O)Nc1cnc(Br)cn1.
What is the InChIKey of 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is IMZVMGHICAVLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O3S/c1-20-8-2-6(12)7(14)3-9(8)21(18,19)17-11-5-15-10(13)4-16-11/h2-5H,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide?
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 438.10 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 81397943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).