N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide

C19H20N4O3S — CID 3421168

IUPACN-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1ccccc1
InChIInChI=1S/C19H20N4O3S/c24-27(25,15-8-2-1-3-9-15)23-19-18(20-13-14-7-6-12-26-14)21-16-10-4-5-11-17(16)22-19/h1-5,8-11,14H,6-7,12-13H2,(H,20,21)(H,22,23)
InChIKeyYKFHSAMRNRHZNL-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.02
Rot. Bonds6

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

N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 3421168) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID3421168
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1ccccc1
InChIInChI=1S/C19H20N4O3S/c24-27(25,15-8-2-1-3-9-15)23-19-18(20-13-14-7-6-12-26-14)21-16-10-4-5-11-17(16)22-19/h1-5,8-11,14H,6-7,12-13H2,(H,20,21)(H,22,23)
InChIKeyYKFHSAMRNRHZNL-UHFFFAOYSA-N
XLogP3.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
N-(oxolan-2-ylmethyl)-11H-indolo[3,2-c]quinolin-6-amine
CID 90670027
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 51664429
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (CID 3421168) is N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is YKFHSAMRNRHZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-27(25,15-8-2-1-3-9-15)23-19-18(20-13-14-7-6-12-26-14)21-16-10-4-5-11-17(16)22-19/h1-5,8-11,14H,6-7,12-13H2,(H,20,21)(H,22,23).
What are the key properties of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3421168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).