N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide

C18H14N2O5S2 — CID 134936394

IUPACN-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide
SMILESO=C1C=C/C(=N/S(=O)(=O)c2ccccc2)C(NS(=O)(=O)c2ccccc2)=C1
InChIInChI=1S/C18H14N2O5S2/c21-14-11-12-17(19-26(22,23)15-7-3-1-4-8-15)18(13-14)20-27(24,25)16-9-5-2-6-10-16/h1-13,20H/b19-17-
InChIKeyGWHDZGXPMDTFDZ-ZPHPHTNESA-N
MW402.45 g/mol
LogP1.82
Rot. Bonds5

About N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide

N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide (PubChem CID 134936394) has the molecular formula C18H14N2O5S2 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide
PubChem CID134936394
Molecular FormulaC18H14N2O5S2
Molecular Weight402.45 g/mol
Exact Mass402.03
IUPAC NameN-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide
SMILESO=C1C=C/C(=N/S(=O)(=O)c2ccccc2)C(NS(=O)(=O)c2ccccc2)=C1
InChIInChI=1S/C18H14N2O5S2/c21-14-11-12-17(19-26(22,23)15-7-3-1-4-8-15)18(13-14)20-27(24,25)16-9-5-2-6-10-16/h1-13,20H/b19-17-
InChIKeyGWHDZGXPMDTFDZ-ZPHPHTNESA-N
XLogP1.82
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-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

N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674
(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6324713
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-tert-butylbenzenesulfonamide
CID 2398579
(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide
CID 134925733
(NZ)-N-(3-bromo-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5449417
(NZ)-4-methoxy-N-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6125311
N-[3-(benzenesulfonyl)-4-oxocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
CID 3400368
(NZ)-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5400956
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(2-iodophenyl)benzenesulfonamide
CID 632219
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 40910726

Frequently Asked Questions

What is the IUPAC name of N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide (CID 134936394) is N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide is O=C1C=C/C(=N/S(=O)(=O)c2ccccc2)C(NS(=O)(=O)c2ccccc2)=C1.
What is the InChIKey of N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide?
The InChIKey is GWHDZGXPMDTFDZ-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H14N2O5S2/c21-14-11-12-17(19-26(22,23)15-7-3-1-4-8-15)18(13-14)20-27(24,25)16-9-5-2-6-10-16/h1-13,20H/b19-17-.
What are the key properties of N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide?
N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide has a molecular weight of 402.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 134936394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).