2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide

C10H7Br2ClN2O2S2 — CID 43455933

IUPAC2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cnc(Cl)s2)c(Br)c1
InChIInChI=1S/C10H7Br2ClN2O2S2/c1-5-2-6(11)9(7(12)3-5)15-19(16,17)8-4-14-10(13)18-8/h2-4,15H,1H3
InChIKeyMAOGRJDODIITRL-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455933) has the molecular formula C10H7Br2ClN2O2S2 and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43455933
Molecular FormulaC10H7Br2ClN2O2S2
Molecular Weight446.57 g/mol
Exact Mass443.80
IUPAC Name2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cnc(Cl)s2)c(Br)c1
InChIInChI=1S/C10H7Br2ClN2O2S2/c1-5-2-6(11)9(7(12)3-5)15-19(16,17)8-4-14-10(13)18-8/h2-4,15H,1H3
InChIKeyMAOGRJDODIITRL-UHFFFAOYSA-N
XLogP4.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 65467042
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455848
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413875
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide (CID 43455933) is 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cnc(Cl)s2)c(Br)c1.
What is the InChIKey of 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is MAOGRJDODIITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2ClN2O2S2/c1-5-2-6(11)9(7(12)3-5)15-19(16,17)8-4-14-10(13)18-8/h2-4,15H,1H3.
What are the key properties of 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 446.57 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).