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

C11H11BrN2O2S2 — CID 63825961

IUPAC2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1ccccc1Br
InChIInChI=1S/C11H11BrN2O2S2/c12-10-3-1-2-4-11(10)18(15,16)14-6-5-9-7-17-8-13-9/h1-4,7-8,14H,5-6H2
InChIKeyGMXWIFGLVPNEEQ-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.43
Rot. Bonds5

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

2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 63825961) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID63825961
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1ccccc1Br
InChIInChI=1S/C11H11BrN2O2S2/c12-10-3-1-2-4-11(10)18(15,16)14-6-5-9-7-17-8-13-9/h1-4,7-8,14H,5-6H2
InChIKeyGMXWIFGLVPNEEQ-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

2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-bromo-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825604
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
5-amino-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63831484
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63830560
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 113228525
4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 103717223

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 63825961) is 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cscn1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is GMXWIFGLVPNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c12-10-3-1-2-4-11(10)18(15,16)14-6-5-9-7-17-8-13-9/h1-4,7-8,14H,5-6H2.
What are the key properties of 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
2-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 2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63825961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).