N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C21H15F3N4O3S — CID 4113484

IUPACN-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)15-8-1-4-11-18(15)32(30,31)28-20-19(25-13-6-5-7-14(29)12-13)26-16-9-2-3-10-17(16)27-20/h1-12,29H,(H,25,26)(H,27,28)
InChIKeyVEIJPTLVYAZIRE-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.90
Rot. Bonds5

About N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 4113484) has the molecular formula C21H15F3N4O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID4113484
Molecular FormulaC21H15F3N4O3S
Molecular Weight460.44 g/mol
Exact Mass460.08
IUPAC NameN-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)15-8-1-4-11-18(15)32(30,31)28-20-19(25-13-6-5-7-14(29)12-13)26-16-9-2-3-10-17(16)27-20/h1-12,29H,(H,25,26)(H,27,28)
InChIKeyVEIJPTLVYAZIRE-UHFFFAOYSA-N
XLogP4.90
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2443953
N-[3-(2,4-dimethylanilino)-6,7-dimethylquinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 2398891
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16803208
3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 104821669
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 4113484) is N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VEIJPTLVYAZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c22-21(23,24)15-8-1-4-11-18(15)32(30,31)28-20-19(25-13-6-5-7-14(29)12-13)26-16-9-2-3-10-17(16)27-20/h1-12,29H,(H,25,26)(H,27,28).
What are the key properties of N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4113484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).