2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid

C21H18N4O4S2 — CID 69052757

IUPAC2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C21H18N4O4S2/c1-2-13-12-15(21(26)27)20(30-13)24-18-19(23-17-11-7-6-10-16(17)22-18)25-31(28,29)14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeySWBOOVNKMAUSKM-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.50
Rot. Bonds7

About 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid

2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid (PubChem CID 69052757) has the molecular formula C21H18N4O4S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid
PubChem CID69052757
Molecular FormulaC21H18N4O4S2
Molecular Weight454.53 g/mol
Exact Mass454.08
IUPAC Name2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C21H18N4O4S2/c1-2-13-12-15(21(26)27)20(30-13)24-18-19(23-17-11-7-6-10-16(17)22-18)25-31(28,29)14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeySWBOOVNKMAUSKM-UHFFFAOYSA-N
XLogP4.50
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid with MolForge

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Related Compounds

N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
ethyl 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2319167
5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid
CID 82096774
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697
4-hydroxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid
CID 139457094
4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid
CID 58274233
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid (CID 69052757) is 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid?
The InChIKey is SWBOOVNKMAUSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2/c1-2-13-12-15(21(26)27)20(30-13)24-18-19(23-17-11-7-6-10-16(17)22-18)25-31(28,29)14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid?
2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid has a molecular weight of 454.53 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid is sourced from PubChem (CID 69052757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).