N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide

C6H9BrN2O4S3 — CID 55219468

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H9BrN2O4S3/c1-15(10,11)2-3-16(12,13)9-6-8-4-5(7)14-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyOOGJGLRFRSYXET-UHFFFAOYSA-N
MW349.25 g/mol
LogP0.69
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide (PubChem CID 55219468) has the molecular formula C6H9BrN2O4S3 and a molecular weight of 349.25 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide
PubChem CID55219468
Molecular FormulaC6H9BrN2O4S3
Molecular Weight349.25 g/mol
Exact Mass347.89
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H9BrN2O4S3/c1-15(10,11)2-3-16(12,13)9-6-8-4-5(7)14-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyOOGJGLRFRSYXET-UHFFFAOYSA-N
XLogP0.69
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Aminothiazole-5-sulfonamide
CID 21957433
2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 87417112
n-butyl-N-2-thiazolylsulfonamide
CID 9117500
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
N-[5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21852998
N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide
CID 60785601
N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83060119
5-bromo-N-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-amine
CID 114808747
11-Dioxo-N-(13-thiazol-2-YL)-1lambda6-thiolane-3-sulfonamide
CID 16958018
N-(1,3-thiazol-2-yl)methanesulfonamide
CID 3532089
2-Amino-5-methylsulfonylthiazole
CID 14931789
2-amino-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 16784506

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide (CID 55219468) is N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide?
The InChIKey is OOGJGLRFRSYXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O4S3/c1-15(10,11)2-3-16(12,13)9-6-8-4-5(7)14-6/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide has a molecular weight of 349.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 55219468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).