5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide

C12H13BrN2O3S2 — CID 82915384

IUPAC5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
SMILESCc1ncsc1CCOc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C12H13BrN2O3S2/c1-8-11(19-7-15-8)4-5-18-10-3-2-9(13)6-12(10)20(14,16)17/h2-3,6-7H,4-5H2,1H3,(H2,14,16,17)
InChIKeyLTXVXKVHOATELP-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.48
Rot. Bonds5

About 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide

5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide (PubChem CID 82915384) has the molecular formula C12H13BrN2O3S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
PubChem CID82915384
Molecular FormulaC12H13BrN2O3S2
Molecular Weight377.29 g/mol
Exact Mass375.96
IUPAC Name5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
SMILESCc1ncsc1CCOc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C12H13BrN2O3S2/c1-8-11(19-7-15-8)4-5-18-10-3-2-9(13)6-12(10)20(14,16)17/h2-3,6-7H,4-5H2,1H3,(H2,14,16,17)
InChIKeyLTXVXKVHOATELP-UHFFFAOYSA-N
XLogP2.48
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride
CID 82916083
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62031358
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
CID 61373558
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide (CID 82915384) is 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide is Cc1ncsc1CCOc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide?
The InChIKey is LTXVXKVHOATELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S2/c1-8-11(19-7-15-8)4-5-18-10-3-2-9(13)6-12(10)20(14,16)17/h2-3,6-7H,4-5H2,1H3,(H2,14,16,17).
What are the key properties of 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide?
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide has a molecular weight of 377.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 82915384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).