4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C8H6BrN3O2S2 — CID 5049984

IUPAC4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrN3O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12)
InChIKeyNASXRLLEFZKBLN-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.10
Rot. Bonds3

About 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 5049984) has the molecular formula C8H6BrN3O2S2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID5049984
Molecular FormulaC8H6BrN3O2S2
Molecular Weight320.19 g/mol
Exact Mass318.91
IUPAC Name4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrN3O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12)
InChIKeyNASXRLLEFZKBLN-UHFFFAOYSA-N
XLogP2.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2336813
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 58302671
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
4-[3-(methylamino)propyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081042
2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456473
4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91943617
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370201
3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 43506641
2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163353225
3-bromo-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)benzoic acid
CID 79568457

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 5049984) is 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is NASXRLLEFZKBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12).
What are the key properties of 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 320.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5049984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).