5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

C8H7BrN4O4S3 — CID 11696964

IUPAC5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C8H7BrN4O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,(H,11,13)(H2,10,14,15)
InChIKeyQGHSHYIQOYQWHW-UHFFFAOYSA-N
MW399.27 g/mol
LogP0.75
Rot. Bonds4

About 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 11696964) has the molecular formula C8H7BrN4O4S3 and a molecular weight of 399.27 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID11696964
Molecular FormulaC8H7BrN4O4S3
Molecular Weight399.27 g/mol
Exact Mass397.88
IUPAC Name5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C8H7BrN4O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,(H,11,13)(H2,10,14,15)
InChIKeyQGHSHYIQOYQWHW-UHFFFAOYSA-N
XLogP0.75
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Benzolamide
CID 18794
4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 790210
N-(5-Amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 15131168
4-bromo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1213226
Cambridge id 7312715
CID 1221277
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
CID 5049984
5-[(4-Fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 394906
2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824852
4-bromo-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71967525
5-bromo-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389556
4-bromo-3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 103740858
4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 107650398

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (CID 11696964) is 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is QGHSHYIQOYQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,(H,11,13)(H2,10,14,15).
What are the key properties of 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 399.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 11696964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).