4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide

C21H17ClN4O2S — CID 1133668

IUPAC4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-14-6-10-16(11-7-14)23-20-21(25-19-5-3-2-4-18(19)24-20)26-29(27,28)17-12-8-15(22)9-13-17/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyDPPAVCNOAUWULI-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.14
Rot. Bonds5

About 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1133668) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1133668
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-14-6-10-16(11-7-14)23-20-21(25-19-5-3-2-4-18(19)24-20)26-29(27,28)17-12-8-15(22)9-13-17/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyDPPAVCNOAUWULI-UHFFFAOYSA-N
XLogP5.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25040610
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3821477
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1133668) is 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide is Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is DPPAVCNOAUWULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-14-6-10-16(11-7-14)23-20-21(25-19-5-3-2-4-18(19)24-20)26-29(27,28)17-12-8-15(22)9-13-17/h2-13H,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1133668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).