(NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

C19H15NO4S — CID 6536819

IUPAC(NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SMILESO=C1C=C/C(=N/S(=O)(=O)c2ccccc2)C=C1OCc1ccccc1
InChIInChI=1S/C19H15NO4S/c21-18-12-11-16(20-25(22,23)17-9-5-2-6-10-17)13-19(18)24-14-15-7-3-1-4-8-15/h1-13H,14H2/b20-16-
InChIKeyOOPYBYSFLZUMBK-SILNSSARSA-N
MW353.40 g/mol
LogP3.06
Rot. Bonds5

About (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

(NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (PubChem CID 6536819) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
PubChem CID6536819
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name(NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SMILESO=C1C=C/C(=N/S(=O)(=O)c2ccccc2)C=C1OCc1ccccc1
InChIInChI=1S/C19H15NO4S/c21-18-12-11-16(20-25(22,23)17-9-5-2-6-10-17)13-19(18)24-14-15-7-3-1-4-8-15/h1-13H,14H2/b20-16-
InChIKeyOOPYBYSFLZUMBK-SILNSSARSA-N
XLogP3.06
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(NZ)-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5400956
N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 13437743
(NZ)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-ethylbenzenesulfonamide
CID 6114584
2-(benzenesulfonyl)-5-bromo-4-phenylmethoxy-1H-pyrimidin-6-one
CID 21089329
N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methoxybenzenesulfonamide
CID 810481
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
(NE)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalene-2-sulfonamide
CID 6508042
N-[3,5-bis(benzenesulfonyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
CID 3400464
3-phenylmethoxy-1H-azet-2-one
CID 174589199
(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6324713
(4-phenylmethoxyphenyl) benzenesulfonate
CID 7227856
4-phenylmethoxy-1,2-benzothiazepin-3-one
CID 67957885

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (CID 6536819) is (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is O=C1C=C/C(=N/S(=O)(=O)c2ccccc2)C=C1OCc1ccccc1.
What is the InChIKey of (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The InChIKey is OOPYBYSFLZUMBK-SILNSSARSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-18-12-11-16(20-25(22,23)17-9-5-2-6-10-17)13-19(18)24-14-15-7-3-1-4-8-15/h1-13H,14H2/b20-16-.
What are the key properties of (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
(NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-oxo-3-phenylmethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 6536819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).