3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

C17H15BrN4O3S2 — CID 5224388

IUPAC3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)s1
InChIInChI=1S/C17H15BrN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-8-6-13(7-9-14)19-16(23)11-4-3-5-12(18)10-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22)
InChIKeyLRVOOFPGGLCHKL-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.92
Rot. Bonds6

About 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 5224388) has the molecular formula C17H15BrN4O3S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID5224388
Molecular FormulaC17H15BrN4O3S2
Molecular Weight467.37 g/mol
Exact Mass465.98
IUPAC Name3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)s1
InChIInChI=1S/C17H15BrN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-8-6-13(7-9-14)19-16(23)11-4-3-5-12(18)10-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22)
InChIKeyLRVOOFPGGLCHKL-UHFFFAOYSA-N
XLogP3.92
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)-1-naphthamide
CID 1187414
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
4-chloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 4014636
(2E)-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)-3-(4-fluorophenyl)acrylamide
CID 6246323
4-cyano-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1554444
4-bromo-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1851787
N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-4-fluorobenzamide
CID 1946732
4-(dipropylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 2839288
N-{4-[(5-Ethyl-1,3,4-thiadiazol-2-YL)sulfamoyl]phenyl}-3-nitrobenzamide
CID 4516564
3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 5110222
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 471776
4-Bromo-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-YL)sulfamoyl]phenyl}benzamide
CID 1112304

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (CID 5224388) is 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)s1.
What is the InChIKey of 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is LRVOOFPGGLCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-8-6-13(7-9-14)19-16(23)11-4-3-5-12(18)10-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 467.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 5224388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).