N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide

C11H10N4O5S — CID 101043457

IUPACN-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O5S/c1-20-11-10(12-6-7-13-11)14-21(18,19)9-4-2-8(3-5-9)15(16)17/h2-7H,1H3,(H,12,14)
InChIKeyCFIMBINHVKTZCH-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.19
Rot. Bonds5

About N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide

N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide (PubChem CID 101043457) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
PubChem CID101043457
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC NameN-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O5S/c1-20-11-10(12-6-7-13-11)14-21(18,19)9-4-2-8(3-5-9)15(16)17/h2-7H,1H3,(H,12,14)
InChIKeyCFIMBINHVKTZCH-UHFFFAOYSA-N
XLogP1.19
TPSA124.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-nitrobenzamide
CID 54783138
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
CID 68857071
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
CID 68855747
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
N-(5-methoxy-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 67305769
N-(3-methoxypyrazin-2-yl)-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 3637770
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide
CID 54782638
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-methoxy-4-nitrobenzenesulfonamide
CID 56777248
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide (CID 101043457) is N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide is COc1nccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide?
The InChIKey is CFIMBINHVKTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c1-20-11-10(12-6-7-13-11)14-21(18,19)9-4-2-8(3-5-9)15(16)17/h2-7H,1H3,(H,12,14).
What are the key properties of N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide?
N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide has a molecular weight of 310.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 101043457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).