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

C11H12BrN3O2S2 — CID 65206505

IUPAC5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C11H12BrN3O2S2/c12-9-2-1-8(13)7-10(9)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4,13H2
InChIKeyPRMFYNYZMDRDPI-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.01
Rot. Bonds5

About 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 65206505) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID65206505
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC Name5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C11H12BrN3O2S2/c12-9-2-1-8(13)7-10(9)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4,13H2
InChIKeyPRMFYNYZMDRDPI-UHFFFAOYSA-N
XLogP2.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460259
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238752
4-bromo-3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]aniline
CID 115297731
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
4-amino-2-bromo-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238661
5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62196825
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
3-amino-4-fluoro-2,6-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107325821
3-amino-5-chloro-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103051424

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 65206505) is 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NCCc2nccs2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is PRMFYNYZMDRDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c12-9-2-1-8(13)7-10(9)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4,13H2.
What are the key properties of 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 362.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65206505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).