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

C15H9ClF3N3O2S — CID 4962901

IUPACN-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O2S/c16-13-14(21-12-7-2-1-6-11(12)20-13)22-25(23,24)10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H,21,22)
InChIKeySRFOKZHVEPLQES-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.10
Rot. Bonds3

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

N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 4962901) has the molecular formula C15H9ClF3N3O2S and a molecular weight of 387.77 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID4962901
Molecular FormulaC15H9ClF3N3O2S
Molecular Weight387.77 g/mol
Exact Mass387.01
IUPAC NameN-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O2S/c16-13-14(21-12-7-2-1-6-11(12)20-13)22-25(23,24)10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H,21,22)
InChIKeySRFOKZHVEPLQES-UHFFFAOYSA-N
XLogP4.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 4962901) is N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SRFOKZHVEPLQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2S/c16-13-14(21-12-7-2-1-6-11(12)20-13)22-25(23,24)10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H,21,22).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 387.77 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4962901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).