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

C20H15ClN4O3S — CID 1024035

IUPAC4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O3S/c21-13-8-10-16(11-9-13)29(27,28)25-20-19(22-14-4-3-5-15(26)12-14)23-17-6-1-2-7-18(17)24-20/h1-12,26H,(H,22,23)(H,24,25)
InChIKeyQCYHKBURZWATKM-UHFFFAOYSA-N
MW426.89 g/mol
LogP4.53
Rot. Bonds5

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

4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1024035) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1024035
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC Name4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O3S/c21-13-8-10-16(11-9-13)29(27,28)25-20-19(22-14-4-3-5-15(26)12-14)23-17-6-1-2-7-18(17)24-20/h1-12,26H,(H,22,23)(H,24,25)
InChIKeyQCYHKBURZWATKM-UHFFFAOYSA-N
XLogP4.53
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
N-[3-(3-hydroxyanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 4113484
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2443953
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide
CID 2377808
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 1024035) is 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is QCYHKBURZWATKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c21-13-8-10-16(11-9-13)29(27,28)25-20-19(22-14-4-3-5-15(26)12-14)23-17-6-1-2-7-18(17)24-20/h1-12,26H,(H,22,23)(H,24,25).
What are the key properties of 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 426.89 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1024035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).