N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide

C11H8Br2N2O3S2 — CID 63000153

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(Br)ccc2Br)n1
InChIInChI=1S/C11H8Br2N2O3S2/c1-6(16)9-5-19-11(14-9)15-20(17,18)10-4-7(12)2-3-8(10)13/h2-5H,1H3,(H,14,15)
InChIKeyIZPWECCSBVFMLU-UHFFFAOYSA-N
MW440.14 g/mol
LogP3.67
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide (PubChem CID 63000153) has the molecular formula C11H8Br2N2O3S2 and a molecular weight of 440.14 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
PubChem CID63000153
Molecular FormulaC11H8Br2N2O3S2
Molecular Weight440.14 g/mol
Exact Mass437.83
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(Br)ccc2Br)n1
InChIInChI=1S/C11H8Br2N2O3S2/c1-6(16)9-5-19-11(14-9)15-20(17,18)10-4-7(12)2-3-8(10)13/h2-5H,1H3,(H,14,15)
InChIKeyIZPWECCSBVFMLU-UHFFFAOYSA-N
XLogP3.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.14
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
N-(4-acetyl-1,3-thiazol-2-yl)-5-amino-4-bromo-2-methylbenzenesulfonamide
CID 114625789
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542
4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 64558473
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
5-amino-2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 65206542
1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114815388
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide (CID 63000153) is N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide is CC(=O)c1csc(NS(=O)(=O)c2cc(Br)ccc2Br)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide?
The InChIKey is IZPWECCSBVFMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O3S2/c1-6(16)9-5-19-11(14-9)15-20(17,18)10-4-7(12)2-3-8(10)13/h2-5H,1H3,(H,14,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide has a molecular weight of 440.14 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 63000153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).