N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide

C15H9ClF3N3O2S — CID 142779363

IUPACN-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1nc2ccccc2nc1Cl)C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O2S/c16-13-14(21-12-9-5-4-8-11(12)20-13)22(15(17,18)19)25(23,24)10-6-2-1-3-7-10/h1-9H
InChIKeyBCRWTFKNDDXUTQ-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.00
Rot. Bonds3

About N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide

N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide (PubChem CID 142779363) has the molecular formula C15H9ClF3N3O2S and a molecular weight of 387.77 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide
PubChem CID142779363
Molecular FormulaC15H9ClF3N3O2S
Molecular Weight387.77 g/mol
Exact Mass387.01
IUPAC NameN-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1nc2ccccc2nc1Cl)C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O2S/c16-13-14(21-12-9-5-4-8-11(12)20-13)22(15(17,18)19)25(23,24)10-6-2-1-3-7-10/h1-9H
InChIKeyBCRWTFKNDDXUTQ-UHFFFAOYSA-N
XLogP4.00
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide (CID 142779363) is N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1nc2ccccc2nc1Cl)C(F)(F)F.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BCRWTFKNDDXUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2S/c16-13-14(21-12-9-5-4-8-11(12)20-13)22(15(17,18)19)25(23,24)10-6-2-1-3-7-10/h1-9H.
What are the key properties of N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide has a molecular weight of 387.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 142779363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).