4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid

C22H17ClN4O4S — CID 15991147

IUPAC4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid
SMILESCc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(C(=O)O)cc3)nc2c1
InChIInChI=1S/C22H17ClN4O4S/c1-13-2-11-18-19(12-13)26-20(24-16-7-3-14(4-8-16)22(28)29)21(25-18)27-32(30,31)17-9-5-15(23)6-10-17/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyFYYJMXLDVRNELC-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.83
Rot. Bonds6

About 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid

4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid (PubChem CID 15991147) has the molecular formula C22H17ClN4O4S and a molecular weight of 468.92 g/mol. Its IUPAC name is 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid
PubChem CID15991147
Molecular FormulaC22H17ClN4O4S
Molecular Weight468.92 g/mol
Exact Mass468.07
IUPAC Name4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid
SMILESCc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(C(=O)O)cc3)nc2c1
InChIInChI=1S/C22H17ClN4O4S/c1-13-2-11-18-19(12-13)26-20(24-16-7-3-14(4-8-16)22(28)29)21(25-18)27-32(30,31)17-9-5-15(23)6-10-17/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyFYYJMXLDVRNELC-UHFFFAOYSA-N
XLogP4.83
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid with MolForge

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Related Compounds

Methyl 2-chloro-5-{[3-(4-methylbenzenesulfonamido)quinoxalin-2-YL]amino}benzoate
CID 1112701
Ethyl 4-[(3-{[(4-chlorophenyl)sulfonyl]amino}quinoxalin-2-yl)amino]benzoate
CID 4459676
4-{[(3Z)-3-{[(4-fluorophenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoic acid
CID 1399269
4-((3-(Thiophene-2-sulfonamido)quinoxalin-2-yl)amino)benzoic acid
CID 1614487
3-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic Acid
CID 1395652
3-((3-(Phenylsulfonamido)quinoxalin-2-yl)amino)benzoic acid
CID 1982333
3-[[3-[(3-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic Acid
CID 1390606
2-(4-Chlorophenyl)-3-(isopropyl(methyl)amino)quinoxaline-6-carboxylic acid
CID 50991119
3-(4-(3-Chlorophenyl)piperazin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50991941
3-(4-(4-Chlorophenyl)piperazin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50992021
3-(4-(Methylsulfonyl)piperazin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50992302
3-(N-Methylmethan-5-ylsulfonamido)-2-phenylquinoxaline-6-carboxylic acid
CID 68062981

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid (CID 15991147) is 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid is Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(C(=O)O)cc3)nc2c1.
What is the InChIKey of 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid?
The InChIKey is FYYJMXLDVRNELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4S/c1-13-2-11-18-19(12-13)26-20(24-16-7-3-14(4-8-16)22(28)29)21(25-18)27-32(30,31)17-9-5-15(23)6-10-17/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid?
4-[[3-[(4-chlorophenyl)sulfonylamino]-7-methylquinoxalin-2-yl]amino]benzoic acid has a molecular weight of 468.92 g/mol, XLogP of 4.83, 6 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]-7-methylquinoxalin-2-yl]amino]benzoic acid is sourced from PubChem (CID 15991147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).