3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C11H11BrN2O4S2 — CID 103774906

IUPAC3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)cc1Br
InChIInChI=1S/C11H11BrN2O4S2/c1-18-10-3-2-8(4-9(10)12)20(16,17)13-5-7-6-19-11(15)14-7/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyZFIBURJKSIEGIL-UHFFFAOYSA-N
MW379.26 g/mol
LogP1.69
Rot. Bonds5

About 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 103774906) has the molecular formula C11H11BrN2O4S2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID103774906
Molecular FormulaC11H11BrN2O4S2
Molecular Weight379.26 g/mol
Exact Mass377.93
IUPAC Name3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)cc1Br
InChIInChI=1S/C11H11BrN2O4S2/c1-18-10-3-2-8(4-9(10)12)20(16,17)13-5-7-6-19-11(15)14-7/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyZFIBURJKSIEGIL-UHFFFAOYSA-N
XLogP1.69
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181350
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106382412
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
3-bromo-4-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 103697865
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 65245602
2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 106379581
4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383819
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 103774906) is 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZFIBURJKSIEGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4S2/c1-18-10-3-2-8(4-9(10)12)20(16,17)13-5-7-6-19-11(15)14-7/h2-4,6,13H,5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 379.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103774906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).