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

C11H10BrClN2O2S2 — CID 49460259

IUPAC4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nccs1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2O2S2/c12-8-1-2-10(9(13)7-8)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4H2
InChIKeyNBGNACLPFGZEHF-UHFFFAOYSA-N
MW381.70 g/mol
LogP3.08
Rot. Bonds5

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

4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 49460259) has the molecular formula C11H10BrClN2O2S2 and a molecular weight of 381.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID49460259
Molecular FormulaC11H10BrClN2O2S2
Molecular Weight381.70 g/mol
Exact Mass379.91
IUPAC Name4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nccs1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2O2S2/c12-8-1-2-10(9(13)7-8)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4H2
InChIKeyNBGNACLPFGZEHF-UHFFFAOYSA-N
XLogP3.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 49460259) is 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1nccs1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NBGNACLPFGZEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S2/c12-8-1-2-10(9(13)7-8)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4H2.
What are the key properties of 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 381.70 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 49460259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).