N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide

C20H15ClN4O2S — CID 2309498

IUPACN-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H15ClN4O2S/c21-14-7-6-8-15(13-14)22-19-20(24-18-12-5-4-11-17(18)23-19)25-28(26,27)16-9-2-1-3-10-16/h1-13H,(H,22,23)(H,24,25)
InChIKeyFYVVGMMVCLWIBG-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.83
Rot. Bonds5

About N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2309498) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2309498
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H15ClN4O2S/c21-14-7-6-8-15(13-14)22-19-20(24-18-12-5-4-11-17(18)23-19)25-28(26,27)16-9-2-1-3-10-16/h1-13H,(H,22,23)(H,24,25)
InChIKeyFYVVGMMVCLWIBG-UHFFFAOYSA-N
XLogP4.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448451
3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1403080
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide (CID 2309498) is N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is FYVVGMMVCLWIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c21-14-7-6-8-15(13-14)22-19-20(24-18-12-5-4-11-17(18)23-19)25-28(26,27)16-9-2-1-3-10-16/h1-13H,(H,22,23)(H,24,25).
What are the key properties of N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 410.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2309498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).