N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H11BrN2O3S2 — CID 54884611

IUPACN-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)c(Br)c1
InChIInChI=1S/C11H11BrN2O3S2/c1-6-3-4-9(8(12)5-6)14-19(16,17)10-7(2)13-11(15)18-10/h3-5,14H,1-2H3,(H,13,15)
InChIKeyYRGZTTJQNNMHSO-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.62
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884611) has the molecular formula C11H11BrN2O3S2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884611
Molecular FormulaC11H11BrN2O3S2
Molecular Weight363.26 g/mol
Exact Mass361.94
IUPAC NameN-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)c(Br)c1
InChIInChI=1S/C11H11BrN2O3S2/c1-6-3-4-9(8(12)5-6)14-19(16,17)10-7(2)13-11(15)18-10/h3-5,14H,1-2H3,(H,13,15)
InChIKeyYRGZTTJQNNMHSO-UHFFFAOYSA-N
XLogP2.62
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712767
N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60971346
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 104727919
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274812
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54884611) is N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is YRGZTTJQNNMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S2/c1-6-3-4-9(8(12)5-6)14-19(16,17)10-7(2)13-11(15)18-10/h3-5,14H,1-2H3,(H,13,15).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 363.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).