2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H11BrN4O3S2 — CID 2336813

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN4O3S2/c16-10-5-7-11(8-6-10)25(22,23)20-13-4-2-1-3-12(13)14(21)18-15-19-17-9-24-15/h1-9,20H,(H,18,19,21)
InChIKeyOHUUZIQPFOFTEN-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.35
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide

2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2336813) has the molecular formula C15H11BrN4O3S2 and a molecular weight of 439.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2336813
Molecular FormulaC15H11BrN4O3S2
Molecular Weight439.32 g/mol
Exact Mass437.95
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN4O3S2/c16-10-5-7-11(8-6-10)25(22,23)20-13-4-2-1-3-12(13)14(21)18-15-19-17-9-24-15/h1-9,20H,(H,18,19,21)
InChIKeyOHUUZIQPFOFTEN-UHFFFAOYSA-N
XLogP3.35
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 5049984
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
CID 2347642
3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370167

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 2336813) is 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OHUUZIQPFOFTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O3S2/c16-10-5-7-11(8-6-10)25(22,23)20-13-4-2-1-3-12(13)14(21)18-15-19-17-9-24-15/h1-9,20H,(H,18,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 439.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2336813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).