4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide

C16H12N2O3S — CID 85435433

IUPAC4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2C=CC(=O)c3cccnc32)cc1
InChIInChI=1S/C16H12N2O3S/c1-11-4-6-12(7-5-11)22(20,21)18-14-8-9-15(19)13-3-2-10-17-16(13)14/h2-10H,1H3
InChIKeyMIBZJDCYIFVCFX-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.32
Rot. Bonds2

About 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide

4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide (PubChem CID 85435433) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide
PubChem CID85435433
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2C=CC(=O)c3cccnc32)cc1
InChIInChI=1S/C16H12N2O3S/c1-11-4-6-12(7-5-11)22(20,21)18-14-8-9-15(19)13-3-2-10-17-16(13)14/h2-10H,1H3
InChIKeyMIBZJDCYIFVCFX-UHFFFAOYSA-N
XLogP2.32
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NE)-4-methyl-N-(4-oxo-5,8-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 11324451
4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 561333
4-methyl-N-[4-oxo-3-[(E)-(1-oxonaphthalen-2-ylidene)amino]oxynaphthalen-1-ylidene]benzenesulfonamide
CID 98158792
(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide
CID 134860389
(NE)-N-[(4E)-3-bromo-4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
CID 23661773
2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 154630131
4-chloro-N-[3-(4-methylphenyl)sulfonyl-4-oxocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
CID 3400375
4,7-phenanthroline-5,6-dione
CID 6764
N-(3-benzylsulfanyl-4-oxonaphthalen-1-ylidene)-4-methylbenzenesulfonamide
CID 40862364
N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 90168120
2-[(4Z)-4-(4-methylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid
CID 6768784
N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide (CID 85435433) is 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2C=CC(=O)c3cccnc32)cc1.
What is the InChIKey of 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide?
The InChIKey is MIBZJDCYIFVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-11-4-6-12(7-5-11)22(20,21)18-14-8-9-15(19)13-3-2-10-17-16(13)14/h2-10H,1H3.
What are the key properties of 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide?
4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide has a molecular weight of 312.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide is sourced from PubChem (CID 85435433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).