N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H13BrN2O4S2 — CID 60985166

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCOc1cc(Br)cc(C)c1NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C12H13BrN2O4S2/c1-6-4-8(13)5-9(19-3)10(6)15-21(17,18)11-7(2)14-12(16)20-11/h4-5,15H,1-3H3,(H,14,16)
InChIKeyXWXNFBCTPUXXFX-UHFFFAOYSA-N
MW393.28 g/mol
LogP2.63
Rot. Bonds4

About N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60985166) has the molecular formula C12H13BrN2O4S2 and a molecular weight of 393.28 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60985166
Molecular FormulaC12H13BrN2O4S2
Molecular Weight393.28 g/mol
Exact Mass391.95
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCOc1cc(Br)cc(C)c1NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C12H13BrN2O4S2/c1-6-4-8(13)5-9(19-3)10(6)15-21(17,18)11-7(2)14-12(16)20-11/h4-5,15H,1-3H3,(H,14,16)
InChIKeyXWXNFBCTPUXXFX-UHFFFAOYSA-N
XLogP2.63
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60985166) is N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is COc1cc(Br)cc(C)c1NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XWXNFBCTPUXXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4S2/c1-6-4-8(13)5-9(19-3)10(6)15-21(17,18)11-7(2)14-12(16)20-11/h4-5,15H,1-3H3,(H,14,16).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 393.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60985166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).