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

C17H14BrFN2O2S2 — CID 20965877

IUPAC4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O2S2/c18-13-3-7-16(8-4-13)25(22,23)20-10-9-15-11-24-17(21-15)12-1-5-14(19)6-2-12/h1-8,11,20H,9-10H2
InChIKeyHFGFRUSFXFAFFG-UHFFFAOYSA-N
MW441.35 g/mol
LogP4.23
Rot. Bonds6

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

4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 20965877) has the molecular formula C17H14BrFN2O2S2 and a molecular weight of 441.35 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID20965877
Molecular FormulaC17H14BrFN2O2S2
Molecular Weight441.35 g/mol
Exact Mass439.97
IUPAC Name4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O2S2/c18-13-3-7-16(8-4-13)25(22,23)20-10-9-15-11-24-17(21-15)12-1-5-14(19)6-2-12/h1-8,11,20H,9-10H2
InChIKeyHFGFRUSFXFAFFG-UHFFFAOYSA-N
XLogP4.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 54.23
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-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 20965877) is 4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is HFGFRUSFXFAFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2S2/c18-13-3-7-16(8-4-13)25(22,23)20-10-9-15-11-24-17(21-15)12-1-5-14(19)6-2-12/h1-8,11,20H,9-10H2.
What are the key properties of 4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
4-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 441.35 g/mol, XLogP of 4.23, 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-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 20965877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).