3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C11H11BrN2O2S2 — CID 63825962

IUPAC3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O2S2/c12-9-2-1-3-11(6-9)18(15,16)14-5-4-10-7-17-8-13-10/h1-3,6-8,14H,4-5H2
InChIKeyQFDQMXXQYVNCDD-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.43
Rot. Bonds5

About 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide

3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 63825962) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID63825962
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O2S2/c12-9-2-1-3-11(6-9)18(15,16)14-5-4-10-7-17-8-13-10/h1-3,6-8,14H,4-5H2
InChIKeyQFDQMXXQYVNCDD-UHFFFAOYSA-N
XLogP2.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
2-bromo-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825604
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 63826100
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
CID 63823602
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
2-fluoro-5-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63824301
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 63825962) is 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cscn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is QFDQMXXQYVNCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c12-9-2-1-3-11(6-9)18(15,16)14-5-4-10-7-17-8-13-10/h1-3,6-8,14H,4-5H2.
What are the key properties of 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).