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

C11H7BrClFN2O3S2 — CID 63946023

IUPAC2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2cc(F)ccc2Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C11H7BrClFN2O3S2/c1-5-10(21(13,18)19)20-11(15-5)16-9(17)7-4-6(14)2-3-8(7)12/h2-4H,1H3,(H,15,16,17)
InChIKeyJESDLEYKJKDTSK-UHFFFAOYSA-N
MW413.68 g/mol
LogP3.53
Rot. Bonds3

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

2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63946023) has the molecular formula C11H7BrClFN2O3S2 and a molecular weight of 413.68 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID63946023
Molecular FormulaC11H7BrClFN2O3S2
Molecular Weight413.68 g/mol
Exact Mass411.88
IUPAC Name2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2cc(F)ccc2Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C11H7BrClFN2O3S2/c1-5-10(21(13,18)19)20-11(15-5)16-9(17)7-4-6(14)2-3-8(7)12/h2-4H,1H3,(H,15,16,17)
InChIKeyJESDLEYKJKDTSK-UHFFFAOYSA-N
XLogP3.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.68
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946838
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107987091
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
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63944847
2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide
CID 106861734
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 63946023) is 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NC(=O)c2cc(F)ccc2Br)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is JESDLEYKJKDTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O3S2/c1-5-10(21(13,18)19)20-11(15-5)16-9(17)7-4-6(14)2-3-8(7)12/h2-4H,1H3,(H,15,16,17).
What are the key properties of 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 413.68 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63946023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).