N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide

C18H13BrN4O2S2 — CID 2444391

IUPACN-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C18H13BrN4O2S2/c19-15-10-11-16(26-15)27(24,25)23-18-17(20-12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22-18/h1-11H,(H,20,21)(H,22,23)
InChIKeyZKEDKXRZMLMDGP-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.00
Rot. Bonds5

About N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide

N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide (PubChem CID 2444391) has the molecular formula C18H13BrN4O2S2 and a molecular weight of 461.37 g/mol. Its IUPAC name is N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
PubChem CID2444391
Molecular FormulaC18H13BrN4O2S2
Molecular Weight461.37 g/mol
Exact Mass459.97
IUPAC NameN-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C18H13BrN4O2S2/c19-15-10-11-16(26-15)27(24,25)23-18-17(20-12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22-18/h1-11H,(H,20,21)(H,22,23)
InChIKeyZKEDKXRZMLMDGP-UHFFFAOYSA-N
XLogP5.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444083
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2443953
4-[[3-[(5-bromothiophen-2-yl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 7042041
5-bromo-N-[3-[3-[(2-methoxyphenyl)sulfamoyl]anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 5222632
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444026
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182
5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2329991
N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444236
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide (CID 2444391) is N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccc(Br)s1.
What is the InChIKey of N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide?
The InChIKey is ZKEDKXRZMLMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S2/c19-15-10-11-16(26-15)27(24,25)23-18-17(20-12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22-18/h1-11H,(H,20,21)(H,22,23).
What are the key properties of N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide?
N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide has a molecular weight of 461.37 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 2444391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).