[5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium

C11H9ClFN4O5S- — CID 163688632

IUPAC[5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium
SMILESCOc1nc([NH+]([O-])[O-])cnc1NS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFN4O5S/c1-22-11-10(14-5-8(15-11)17(18)19)16-23(20,21)7-4-2-3-6(12)9(7)13/h2-5,17H,1H3,(H,14,16)/q-1
InChIKeyJRBSKOITPMZPDX-UHFFFAOYSA-N
MW363.73 g/mol
LogP0.59
Rot. Bonds5

About [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium

[5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium (PubChem CID 163688632) has the molecular formula C11H9ClFN4O5S- and a molecular weight of 363.73 g/mol. Its IUPAC name is [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium.

Molecular Properties

Compound Name[5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium
PubChem CID163688632
Molecular FormulaC11H9ClFN4O5S-
Molecular Weight363.73 g/mol
Exact Mass363.00
IUPAC Name[5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium
SMILESCOc1nc([NH+]([O-])[O-])cnc1NS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFN4O5S/c1-22-11-10(14-5-8(15-11)17(18)19)16-23(20,21)7-4-2-3-6(12)9(7)13/h2-5,17H,1H3,(H,14,16)/q-1
InChIKeyJRBSKOITPMZPDX-UHFFFAOYSA-N
XLogP0.59
TPSA131.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
2-chloro-N-[5-(2-chloro-8-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide
CID 138706969
2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide
CID 59168102
N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10309586
2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide
CID 11222445
5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
CID 67139114
N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
CID 59168221
N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 69421245
3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
CID 87284462
(2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanyl-N-methylpropanamide
CID 58656096
N-[5-[4-(2-amino-2-hydroxyethyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 69396589

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium?
The IUPAC name of [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium (CID 163688632) is [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium.
What is the SMILES notation for [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium?
The canonical SMILES for [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium is COc1nc([NH+]([O-])[O-])cnc1NS(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium?
The InChIKey is JRBSKOITPMZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN4O5S/c1-22-11-10(14-5-8(15-11)17(18)19)16-23(20,21)7-4-2-3-6(12)9(7)13/h2-5,17H,1H3,(H,14,16)/q-1.
What are the key properties of [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium?
[5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium has a molecular weight of 363.73 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chloro-2-fluorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]-dioxidoazanium is sourced from PubChem (CID 163688632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).