N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide

C18H20N4O4S — CID 1151278

IUPACN-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\CCCCC2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-26-18-17(19-10-11-20-18)22-27(24,25)15-8-6-14(7-9-15)21-12-13-4-2-3-5-16(13)23/h6-12,21H,2-5H2,1H3,(H,19,22)/b13-12+
InChIKeyGIIPQKDSEMIYBO-OUKQBFOZSA-N
MW388.45 g/mol
LogP2.72
Rot. Bonds6

About N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide

N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide (PubChem CID 1151278) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide
PubChem CID1151278
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\CCCCC2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-26-18-17(19-10-11-20-18)22-27(24,25)15-8-6-14(7-9-15)21-12-13-4-2-3-5-16(13)23/h6-12,21H,2-5H2,1H3,(H,19,22)/b13-12+
InChIKeyGIIPQKDSEMIYBO-OUKQBFOZSA-N
XLogP2.72
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Sulfalene
CID 9047
N-(3-Methoxy-pyrazin-2-yl)-4-[3-(3-phenyl-acryloyl)-thioureido]-benzenesulfonamide
CID 1858963
N-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1974274
N-(4-{[(4-{[(3-methoxy-2-pyrazinyl)amino]sulfonyl}phenyl)amino]sulfonyl}phenyl)acetamide
CID 2193649
4-[3-(2-Fluoro-benzoyl)-thioureido]-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide
CID 3117870
N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-methylbenzamide
CID 1078905
N-(3-methoxypyrazin-2-yl)-4-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzenesulfonamide
CID 1104333
4-Fluoro-N-{4-[(3-methoxypyrazin-2-YL)sulfamoyl]phenyl}benzamide
CID 1194340
4-fluoro-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 1950007
(E)-3-(4-fluorophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 1968675
4-[3-(3,4-Difluoro-benzoyl)-thioureido]-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide
CID 1990018
N-(4-{[(3-methoxypyrazin-2-yl)amino]sulfonyl}phenyl)hexanamide
CID 2855055

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide?
The IUPAC name of N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide (CID 1151278) is N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide.
What is the SMILES notation for N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide?
The canonical SMILES for N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide is COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\CCCCC2=O)cc1.
What is the InChIKey of N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide?
The InChIKey is GIIPQKDSEMIYBO-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-26-18-17(19-10-11-20-18)22-27(24,25)15-8-6-14(7-9-15)21-12-13-4-2-3-5-16(13)23/h6-12,21H,2-5H2,1H3,(H,19,22)/b13-12+.
What are the key properties of N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide?
N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide is sourced from PubChem (CID 1151278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).