4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide

C14H11ClN4O2S — CID 154158256

IUPAC4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(-c2nc3ccccc3nc2Cl)c1
InChIInChI=1S/C14H11ClN4O2S/c15-14-13(18-10-3-1-2-4-11(10)19-14)9-7-8(16)5-6-12(9)22(17,20)21/h1-7H,16H2,(H2,17,20,21)
InChIKeyIROZRPRZPPSTBK-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.18
Rot. Bonds2

About 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide

4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide (PubChem CID 154158256) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide
PubChem CID154158256
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(-c2nc3ccccc3nc2Cl)c1
InChIInChI=1S/C14H11ClN4O2S/c15-14-13(18-10-3-1-2-4-11(10)19-14)9-7-8(16)5-6-12(9)22(17,20)21/h1-7H,16H2,(H2,17,20,21)
InChIKeyIROZRPRZPPSTBK-UHFFFAOYSA-N
XLogP2.18
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.18
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-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide (CID 154158256) is 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)c(-c2nc3ccccc3nc2Cl)c1.
What is the InChIKey of 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is IROZRPRZPPSTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c15-14-13(18-10-3-1-2-4-11(10)19-14)9-7-8(16)5-6-12(9)22(17,20)21/h1-7H,16H2,(H2,17,20,21).
What are the key properties of 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 334.79 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 154158256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).