(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide

C22H16N2O4S2 — CID 134925733

IUPAC(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C1C(=N\S(=O)(=O)c2ccccc2)\C=Cc2ccccc2\1)c1ccccc1
InChIInChI=1S/C22H16N2O4S2/c25-29(26,18-10-3-1-4-11-18)23-21-16-15-17-9-7-8-14-20(17)22(21)24-30(27,28)19-12-5-2-6-13-19/h1-16H/b23-21+,24-22-
InChIKeyMZIIDVBLRALJCK-CFPQKXLCSA-N
MW436.51 g/mol
LogP3.72
Rot. Bonds4

About (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide

(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide (PubChem CID 134925733) has the molecular formula C22H16N2O4S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide
PubChem CID134925733
Molecular FormulaC22H16N2O4S2
Molecular Weight436.51 g/mol
Exact Mass436.06
IUPAC Name(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C1C(=N\S(=O)(=O)c2ccccc2)\C=Cc2ccccc2\1)c1ccccc1
InChIInChI=1S/C22H16N2O4S2/c25-29(26,18-10-3-1-4-11-18)23-21-16-15-17-9-7-8-14-20(17)22(21)24-30(27,28)19-12-5-2-6-13-19/h1-16H/b23-21+,24-22-
InChIKeyMZIIDVBLRALJCK-CFPQKXLCSA-N
XLogP3.72
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-oxo-3-[(E)-(1-oxonaphthalen-2-ylidene)amino]oxynaphthalen-1-ylidene]benzenesulfonamide
CID 98158792
(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6324713
N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide
CID 134936394
N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 13437743
4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 561333
N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674
N-(2,3-dichloro-4-oxo-2,3-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 134612858
(NE)-N-[(4E)-3-bromo-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 21236165
4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide
CID 85435433
2-[(4Z)-4-(benzenesulfonylimino)-1-oxonaphthalen-2-yl]sulfanylacetic acid
CID 6768788
[3-(benzenesulfonylimino)-4-oxonaphthalen-1-yl]-(4-propan-2-ylphenyl)sulfonylazanide
CID 2398561
(NZ)-N-(3-bromo-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5449417

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide (CID 134925733) is (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide is O=S(=O)(/N=C1C(=N\S(=O)(=O)c2ccccc2)\C=Cc2ccccc2\1)c1ccccc1.
What is the InChIKey of (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide?
The InChIKey is MZIIDVBLRALJCK-CFPQKXLCSA-N. The full InChI is InChI=1S/C22H16N2O4S2/c25-29(26,18-10-3-1-4-11-18)23-21-16-15-17-9-7-8-14-20(17)22(21)24-30(27,28)19-12-5-2-6-13-19/h1-16H/b23-21+,24-22-.
What are the key properties of (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide?
(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide has a molecular weight of 436.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 134925733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).