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

C20H17BrN4O3S2 — CID 2444026

IUPAC5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C20H17BrN4O3S2/c1-2-28-16-10-6-5-9-15(16)24-19-20(23-14-8-4-3-7-13(14)22-19)25-30(26,27)18-12-11-17(21)29-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyQBDQLPQMQKQNAT-UHFFFAOYSA-N
MW505.42 g/mol
LogP5.40
Rot. Bonds7

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

5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2444026) has the molecular formula C20H17BrN4O3S2 and a molecular weight of 505.42 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2444026
Molecular FormulaC20H17BrN4O3S2
Molecular Weight505.42 g/mol
Exact Mass503.99
IUPAC Name5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C20H17BrN4O3S2/c1-2-28-16-10-6-5-9-15(16)24-19-20(23-14-8-4-3-7-13(14)22-19)25-30(26,27)18-12-11-17(21)29-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyQBDQLPQMQKQNAT-UHFFFAOYSA-N
XLogP5.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
5-bromo-N-[3-[3-[(2-methoxyphenyl)sulfamoyl]anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 5222632
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2443953
5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
CID 3868034
N-[3-(2-ethoxyanilino)quinoxalin-2-yl]-2-methyl-5-nitrobenzenesulfonamide
CID 3504041
5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444083
4-[[3-[(5-bromothiophen-2-yl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 7042041
2-[2-[(5-bromothiophen-2-yl)sulfonylamino]phenoxy]ethanethioamide
CID 43369773
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 15989719
5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2329991
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61059090
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2444026) is 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is CCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is QBDQLPQMQKQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3S2/c1-2-28-16-10-6-5-9-15(16)24-19-20(23-14-8-4-3-7-13(14)22-19)25-30(26,27)18-12-11-17(21)29-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 505.42 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2444026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).