5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

C18H12Cl2N4O2S2 — CID 2444236

IUPAC5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C18H12Cl2N4O2S2/c19-11-5-1-2-6-12(11)21-17-18(23-14-8-4-3-7-13(14)22-17)24-28(25,26)16-10-9-15(20)27-16/h1-10H,(H,21,22)(H,23,24)
InChIKeyYYGLAUIMVJXFBX-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.54
Rot. Bonds5

About 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2444236) has the molecular formula C18H12Cl2N4O2S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2444236
Molecular FormulaC18H12Cl2N4O2S2
Molecular Weight451.36 g/mol
Exact Mass449.98
IUPAC Name5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C18H12Cl2N4O2S2/c19-11-5-1-2-6-12(11)21-17-18(23-14-8-4-3-7-13(14)22-17)24-28(25,26)16-10-9-15(20)27-16/h1-10H,(H,21,22)(H,23,24)
InChIKeyYYGLAUIMVJXFBX-UHFFFAOYSA-N
XLogP5.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182
5-chloro-N-[3-(3-pyrrolidin-1-ylsulfonylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 3963778
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444026
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2329991
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444083
5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 35367955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2444236) is 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is YYGLAUIMVJXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S2/c19-11-5-1-2-6-12(11)21-17-18(23-14-8-4-3-7-13(14)22-17)24-28(25,26)16-10-9-15(20)27-16/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 451.36 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2444236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).