N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide

C28H22N4O4S — CID 4301325

IUPACN-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N4O4S/c33-27(31-29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)37(35,36)26-17-13-24(14-18-26)28(34)32-30-20-22-9-5-2-6-10-22/h1-20H,(H,31,33)(H,32,34)
InChIKeyACLCTXRBJJZWQP-UHFFFAOYSA-N
MW510.58 g/mol
LogP4.05
Rot. Bonds8

About N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide

N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide (PubChem CID 4301325) has the molecular formula C28H22N4O4S and a molecular weight of 510.58 g/mol. Its IUPAC name is N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
PubChem CID4301325
Molecular FormulaC28H22N4O4S
Molecular Weight510.58 g/mol
Exact Mass510.14
IUPAC NameN-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N4O4S/c33-27(31-29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)37(35,36)26-17-13-24(14-18-26)28(34)32-30-20-22-9-5-2-6-10-22/h1-20H,(H,31,33)(H,32,34)
InChIKeyACLCTXRBJJZWQP-UHFFFAOYSA-N
XLogP4.05
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
CID 92648429
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide?
The IUPAC name of N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide (CID 4301325) is N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide?
The canonical SMILES for N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide is O=C(NN=Cc1ccccc1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide?
The InChIKey is ACLCTXRBJJZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4S/c33-27(31-29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)37(35,36)26-17-13-24(14-18-26)28(34)32-30-20-22-9-5-2-6-10-22/h1-20H,(H,31,33)(H,32,34).
What are the key properties of N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide?
N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide has a molecular weight of 510.58 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide is sourced from PubChem (CID 4301325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).