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

C16H15ClN4O3S — CID 666061

IUPAC3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCO)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O3S/c17-11-4-3-5-12(10-11)25(23,24)21-16-15(18-8-9-22)19-13-6-1-2-7-14(13)20-16/h1-7,10,22H,8-9H2,(H,18,19)(H,20,21)
InChIKeyIKVMDTZOVHAQKU-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.49
Rot. Bonds6

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

3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 666061) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID666061
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC Name3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCO)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O3S/c17-11-4-3-5-12(10-11)25(23,24)21-16-15(18-8-9-22)19-13-6-1-2-7-14(13)20-16/h1-7,10,22H,8-9H2,(H,18,19)(H,20,21)
InChIKeyIKVMDTZOVHAQKU-UHFFFAOYSA-N
XLogP2.49
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide (CID 666061) is 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCCO)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is IKVMDTZOVHAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c17-11-4-3-5-12(10-11)25(23,24)21-16-15(18-8-9-22)19-13-6-1-2-7-14(13)20-16/h1-7,10,22H,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide?
3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-hydroxyethylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 666061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).