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

C17H15BrN2O2S2 — CID 18554593

IUPAC4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)19-11-10-15-12-23-17(20-15)13-4-2-1-3-5-13/h1-9,12,19H,10-11H2
InChIKeyMUGYBDSOGQYKQO-UHFFFAOYSA-N
MW423.36 g/mol
LogP4.09
Rot. Bonds6

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

4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 18554593) has the molecular formula C17H15BrN2O2S2 and a molecular weight of 423.36 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID18554593
Molecular FormulaC17H15BrN2O2S2
Molecular Weight423.36 g/mol
Exact Mass421.98
IUPAC Name4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)19-11-10-15-12-23-17(20-15)13-4-2-1-3-5-13/h1-9,12,19H,10-11H2
InChIKeyMUGYBDSOGQYKQO-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 18554593) is 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is MUGYBDSOGQYKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)19-11-10-15-12-23-17(20-15)13-4-2-1-3-5-13/h1-9,12,19H,10-11H2.
What are the key properties of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 423.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18554593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).