2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C10H9Br2N3O2S2 — CID 43257975

IUPAC2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2c(N)cc(Br)cc2Br)n1
InChIInChI=1S/C10H9Br2N3O2S2/c1-5-4-18-10(14-5)15-19(16,17)9-7(12)2-6(11)3-8(9)13/h2-4H,13H2,1H3,(H,14,15)
InChIKeyKJBSNVGCORWNLS-UHFFFAOYSA-N
MW427.14 g/mol
LogP3.36
Rot. Bonds3

About 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 43257975) has the molecular formula C10H9Br2N3O2S2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID43257975
Molecular FormulaC10H9Br2N3O2S2
Molecular Weight427.14 g/mol
Exact Mass424.85
IUPAC Name2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2c(N)cc(Br)cc2Br)n1
InChIInChI=1S/C10H9Br2N3O2S2/c1-5-4-18-10(14-5)15-19(16,17)9-7(12)2-6(11)3-8(9)13/h2-4H,13H2,1H3,(H,14,15)
InChIKeyKJBSNVGCORWNLS-UHFFFAOYSA-N
XLogP3.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.14
LogP ≤ 53.36
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

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
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 81413594
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 43257318
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362517
3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
3-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81471188
2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251819
2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539727
1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 29050516

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 43257975) is 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2c(N)cc(Br)cc2Br)n1.
What is the InChIKey of 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is KJBSNVGCORWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O2S2/c1-5-4-18-10(14-5)15-19(16,17)9-7(12)2-6(11)3-8(9)13/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 427.14 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43257975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).