4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide
Basic information
- CAS
459154-54-2- Standard SMILES
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)s1- InChIKey
NQMBAAAXLHZJMQ-UHFFFAOYSA-N- Molecular formula
- C23H23N7O5S3
- Average molar mass
- 573.7 g/mol
Names & identifiers
- Preferred name
- 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide
- IUPAC
- 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
- English name
- 4-{[bis(2-cyanoethyl)amino]sulfonyl}-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)benzamide
- Molecular formula
- C23H23N7O5S3
- Molecular weight
- 573.67
Names & synonyms
459154-54-24-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide4-[BIS(2-CYANOETHYL)SULFAMOYL]-N-{4-[(5-ETHYL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL}BENZAMIDEAKOS002348585F3016-00124-{[bis(2-cyanoethyl)amino]sulfonyl}-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)benzamideBenzamide, 4-[[bis(2-cyanoethyl)amino]sulfonyl]-N-[4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl]phenyl]-
Database identifiers
- CAS
459154-54-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- Density
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- pka
- 5.24 · 5.24±0.50(Predicted)
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Related reactions
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Compound notes
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