N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide

C11H6BrClN2O2S3 — CID 16934156

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)s1
InChIInChI=1S/C11H6BrClN2O2S3/c12-6-1-2-7-8(5-6)18-11(14-7)15-20(16,17)10-4-3-9(13)19-10/h1-5H,(H,14,15)
InChIKeySGQXPGXTHLGGAP-UHFFFAOYSA-N
MW409.74 g/mol
LogP4.57
Rot. Bonds3

About N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide

N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide (PubChem CID 16934156) has the molecular formula C11H6BrClN2O2S3 and a molecular weight of 409.74 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
PubChem CID16934156
Molecular FormulaC11H6BrClN2O2S3
Molecular Weight409.74 g/mol
Exact Mass407.85
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)s1
InChIInChI=1S/C11H6BrClN2O2S3/c12-6-1-2-7-8(5-6)18-11(14-7)15-20(16,17)10-4-3-9(13)19-10/h1-5H,(H,14,15)
InChIKeySGQXPGXTHLGGAP-UHFFFAOYSA-N
XLogP4.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.74
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 16934052
5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 167944643
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
5-bromo-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiophene-2-sulfonamide
CID 53470438
N-(5-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 129127454
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
N-(1,3-benzothiazol-2-yl)-5-bromo-2-methylbenzenesulfonamide
CID 60661212
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
N-(1,3-benzothiazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300831

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide (CID 16934156) is N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is SGQXPGXTHLGGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O2S3/c12-6-1-2-7-8(5-6)18-11(14-7)15-20(16,17)10-4-3-9(13)19-10/h1-5H,(H,14,15).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 409.74 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 16934156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).