N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide

C19H13F3N4O3S2 — CID 2310739

IUPACN-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C19H13F3N4O3S2/c20-19(21,22)29-13-9-7-12(8-10-13)23-17-18(25-15-5-2-1-4-14(15)24-17)26-31(27,28)16-6-3-11-30-16/h1-11H,(H,23,24)(H,25,26)
InChIKeyHTRIGSRYWZAOSG-UHFFFAOYSA-N
MW466.47 g/mol
LogP5.13
Rot. Bonds6

About N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2310739) has the molecular formula C19H13F3N4O3S2 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2310739
Molecular FormulaC19H13F3N4O3S2
Molecular Weight466.47 g/mol
Exact Mass466.04
IUPAC NameN-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C19H13F3N4O3S2/c20-19(21,22)29-13-9-7-12(8-10-13)23-17-18(25-15-5-2-1-4-14(15)24-17)26-31(27,28)16-6-3-11-30-16/h1-11H,(H,23,24)(H,25,26)
InChIKeyHTRIGSRYWZAOSG-UHFFFAOYSA-N
XLogP5.13
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338
N-[3-(4-butylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310349
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 162620900
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 155541028
N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309799
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2310739) is N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is HTRIGSRYWZAOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S2/c20-19(21,22)29-13-9-7-12(8-10-13)23-17-18(25-15-5-2-1-4-14(15)24-17)26-31(27,28)16-6-3-11-30-16/h1-11H,(H,23,24)(H,25,26).
What are the key properties of N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 466.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2310739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).