5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C11H12BrN3O3S2 — CID 81413594

IUPAC5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H12BrN3O3S2/c1-6-5-19-11(14-6)15-20(16,17)10-4-8(13)7(12)3-9(10)18-2/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyGGKYOCNPVYMZAO-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.61
Rot. Bonds4

About 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 81413594) has the molecular formula C11H12BrN3O3S2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID81413594
Molecular FormulaC11H12BrN3O3S2
Molecular Weight378.27 g/mol
Exact Mass376.95
IUPAC Name5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H12BrN3O3S2/c1-6-5-19-11(14-6)15-20(16,17)10-4-8(13)7(12)3-9(10)18-2/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyGGKYOCNPVYMZAO-UHFFFAOYSA-N
XLogP2.61
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.61
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

2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
3-amino-5-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114378659
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
5-amino-4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzenesulfonamide
CID 107641445
2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257975
N-(4-acetyl-1,3-thiazol-2-yl)-5-amino-4-bromo-2-methylbenzenesulfonamide
CID 114625789
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943
5-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 102803478
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 81396831
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 81413594) is 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is COc1cc(Br)c(N)cc1S(=O)(=O)Nc1nc(C)cs1.
What is the InChIKey of 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GGKYOCNPVYMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S2/c1-6-5-19-11(14-6)15-20(16,17)10-4-8(13)7(12)3-9(10)18-2/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 378.27 g/mol, XLogP of 2.61, 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-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 81413594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).