5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

C18H13BrN4O3S2 — CID 2443953

IUPAC5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc(Br)s1
InChIInChI=1S/C18H13BrN4O3S2/c19-15-8-9-16(27-15)28(25,26)23-18-17(20-11-4-3-5-12(24)10-11)21-13-6-1-2-7-14(13)22-18/h1-10,24H,(H,20,21)(H,22,23)
InChIKeyTWRXBZGFKGVFMH-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.70
Rot. Bonds5

About 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2443953) has the molecular formula C18H13BrN4O3S2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2443953
Molecular FormulaC18H13BrN4O3S2
Molecular Weight477.37 g/mol
Exact Mass475.96
IUPAC Name5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc(Br)s1
InChIInChI=1S/C18H13BrN4O3S2/c19-15-8-9-16(27-15)28(25,26)23-18-17(20-11-4-3-5-12(24)10-11)21-13-6-1-2-7-14(13)22-18/h1-10,24H,(H,20,21)(H,22,23)
InChIKeyTWRXBZGFKGVFMH-UHFFFAOYSA-N
XLogP4.70
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
4-[[3-[(5-bromothiophen-2-yl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 7042041
5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444083
5-bromo-N-[3-[3-[(2-methoxyphenyl)sulfamoyl]anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 5222632
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 4113484
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444026
N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
5-chloro-N-[3-(3-pyrrolidin-1-ylsulfonylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 3963778
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2329991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2443953) is 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is TWRXBZGFKGVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O3S2/c19-15-8-9-16(27-15)28(25,26)23-18-17(20-11-4-3-5-12(24)10-11)21-13-6-1-2-7-14(13)22-18/h1-10,24H,(H,20,21)(H,22,23).
What are the key properties of 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 477.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2443953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).