2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

C11H7BrCl2N2O3S2 — CID 107987091

IUPAC2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C11H7BrCl2N2O3S2/c1-5-10(21(14,18)19)20-11(15-5)16-9(17)7-3-2-6(13)4-8(7)12/h2-4H,1H3,(H,15,16,17)
InChIKeyDDXGVOXUNYTNGV-UHFFFAOYSA-N
MW430.13 g/mol
LogP4.05
Rot. Bonds3

About 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 107987091) has the molecular formula C11H7BrCl2N2O3S2 and a molecular weight of 430.13 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID107987091
Molecular FormulaC11H7BrCl2N2O3S2
Molecular Weight430.13 g/mol
Exact Mass427.85
IUPAC Name2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C11H7BrCl2N2O3S2/c1-5-10(21(14,18)19)20-11(15-5)16-9(17)7-3-2-6(13)4-8(7)12/h2-4H,1H3,(H,15,16,17)
InChIKeyDDXGVOXUNYTNGV-UHFFFAOYSA-N
XLogP4.05
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.13
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946023
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041
2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107096096
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide
CID 106861734
2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946838
2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 107987897
2-bromo-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114024558
4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63944847
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107986673

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 107987091) is 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NC(=O)c2ccc(Cl)cc2Br)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is DDXGVOXUNYTNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O3S2/c1-5-10(21(14,18)19)20-11(15-5)16-9(17)7-3-2-6(13)4-8(7)12/h2-4H,1H3,(H,15,16,17).
What are the key properties of 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 430.13 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 107987091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).