N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide

C17H22N4O4S — CID 2855055

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChIInChI=1S/C17H22N4O4S/c1-3-4-5-6-15(22)20-13-7-9-14(10-8-13)26(23,24)21-16-17(25-2)19-12-11-18-16/h7-12H,3-6H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyMWLPDJRHQJIGOL-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.80
Rot. Bonds9

About N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide (PubChem CID 2855055) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide
PubChem CID2855055
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChIInChI=1S/C17H22N4O4S/c1-3-4-5-6-15(22)20-13-7-9-14(10-8-13)26(23,24)21-16-17(25-2)19-12-11-18-16/h7-12H,3-6H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyMWLPDJRHQJIGOL-UHFFFAOYSA-N
XLogP2.80
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfalene
CID 9047
N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide
CID 1151278
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-Fluoro-benzoyl)-thioureido]-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide
CID 3117871

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide (CID 2855055) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide?
The InChIKey is MWLPDJRHQJIGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-3-4-5-6-15(22)20-13-7-9-14(10-8-13)26(23,24)21-16-17(25-2)19-12-11-18-16/h7-12H,3-6H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide has a molecular weight of 378.45 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]hexanamide is sourced from PubChem (CID 2855055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).