4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide

C10H8Cl2N4O2S — CID 86120603

IUPAC4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncc(Cl)nc2Cl)cc1
InChIInChI=1S/C10H8Cl2N4O2S/c11-8-5-14-10(9(12)15-8)16-19(17,18)7-3-1-6(13)2-4-7/h1-5H,13H2,(H,14,16)
InChIKeyQXNZMDMHGJRESJ-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.17
Rot. Bonds3

About 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide

4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide (PubChem CID 86120603) has the molecular formula C10H8Cl2N4O2S and a molecular weight of 319.17 g/mol. Its IUPAC name is 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide
PubChem CID86120603
Molecular FormulaC10H8Cl2N4O2S
Molecular Weight319.17 g/mol
Exact Mass317.97
IUPAC Name4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncc(Cl)nc2Cl)cc1
InChIInChI=1S/C10H8Cl2N4O2S/c11-8-5-14-10(9(12)15-8)16-19(17,18)7-3-1-6(13)2-4-7/h1-5H,13H2,(H,14,16)
InChIKeyQXNZMDMHGJRESJ-UHFFFAOYSA-N
XLogP2.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide (CID 86120603) is 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ncc(Cl)nc2Cl)cc1.
What is the InChIKey of 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide?
The InChIKey is QXNZMDMHGJRESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2S/c11-8-5-14-10(9(12)15-8)16-19(17,18)7-3-1-6(13)2-4-7/h1-5H,13H2,(H,14,16).
What are the key properties of 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide?
4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide has a molecular weight of 319.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 86120603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).