N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide

C10H9Br2N3O2S2 — CID 103413875

IUPACN-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2c(N)cc(Br)cc2Br)s1
InChIInChI=1S/C10H9Br2N3O2S2/c1-5-14-4-9(18-5)19(16,17)15-10-7(12)2-6(11)3-8(10)13/h2-4,15H,13H2,1H3
InChIKeyFOVXCNRJHKKULK-UHFFFAOYSA-N
MW427.14 g/mol
LogP3.36
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103413875) has the molecular formula C10H9Br2N3O2S2 and a molecular weight of 427.14 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103413875
Molecular FormulaC10H9Br2N3O2S2
Molecular Weight427.14 g/mol
Exact Mass424.85
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2c(N)cc(Br)cc2Br)s1
InChIInChI=1S/C10H9Br2N3O2S2/c1-5-14-4-9(18-5)19(16,17)15-10-7(12)2-6(11)3-8(10)13/h2-4,15H,13H2,1H3
InChIKeyFOVXCNRJHKKULK-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

N-(2-amino-4,6-difluorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413990
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413868
2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455933
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063485
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 103415758
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
N-(2-amino-4,6-dibromophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43550690
3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103414384

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103413875) is N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2c(N)cc(Br)cc2Br)s1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is FOVXCNRJHKKULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O2S2/c1-5-14-4-9(18-5)19(16,17)15-10-7(12)2-6(11)3-8(10)13/h2-4,15H,13H2,1H3.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide 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 N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103413875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).