4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid

C22H17ClN4O4S — CID 20873702

IUPAC4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O4S/c23-16-9-11-17(12-10-16)32(30,31)27-21-20(25-18-3-1-2-4-19(18)26-21)24-13-14-5-7-15(8-6-14)22(28)29/h1-12H,13H2,(H,24,25)(H,26,27)(H,28,29)
InChIKeyFWAFXWNXNIWOIJ-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.39
Rot. Bonds7

About 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid

4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid (PubChem CID 20873702) has the molecular formula C22H17ClN4O4S and a molecular weight of 468.92 g/mol. Its IUPAC name is 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
PubChem CID20873702
Molecular FormulaC22H17ClN4O4S
Molecular Weight468.92 g/mol
Exact Mass468.07
IUPAC Name4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O4S/c23-16-9-11-17(12-10-16)32(30,31)27-21-20(25-18-3-1-2-4-19(18)26-21)24-13-14-5-7-15(8-6-14)22(28)29/h1-12H,13H2,(H,24,25)(H,26,27)(H,28,29)
InChIKeyFWAFXWNXNIWOIJ-UHFFFAOYSA-N
XLogP4.39
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid with MolForge

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Related Compounds

N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
4-bromo-N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 25045627
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium
CID 8833941
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
CID 133434691
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
CID 25036116
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid (CID 20873702) is 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid?
The InChIKey is FWAFXWNXNIWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4S/c23-16-9-11-17(12-10-16)32(30,31)27-21-20(25-18-3-1-2-4-19(18)26-21)24-13-14-5-7-15(8-6-14)22(28)29/h1-12H,13H2,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid?
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid has a molecular weight of 468.92 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid is sourced from PubChem (CID 20873702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).