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

C20H22N4O3S — CID 3564142

IUPAC3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCC2CCCO2)c1
InChIInChI=1S/C20H22N4O3S/c1-14-6-4-8-16(12-14)28(25,26)24-20-19(21-13-15-7-5-11-27-15)22-17-9-2-3-10-18(17)23-20/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyRISSBMBXWCQJPF-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.33
Rot. Bonds6

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

3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 3564142) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID3564142
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCC2CCCO2)c1
InChIInChI=1S/C20H22N4O3S/c1-14-6-4-8-16(12-14)28(25,26)24-20-19(21-13-15-7-5-11-27-15)22-17-9-2-3-10-18(17)23-20/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyRISSBMBXWCQJPF-UHFFFAOYSA-N
XLogP3.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(3-propan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
CID 3755819
[(4-Methylphenyl)sulfonyl](3-morpholin-4-ylquinoxalin-2-yl)amine
CID 2305758
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 663384
[3-(2,6-Dimethylmorpholin-4-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile
CID 664065
1-(phenylsulfonyl)-3-[3-(propan-2-yloxy)propyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664320
3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
CID 664837
N-[3-(3-methoxypropylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1582972
4-methyl-N-{3-[(tetrahydrofuran-2-ylmethyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 3337296
2,4-Dimethyl-N-{3-[(tetrahydro-furan-2-ylmethyl)-amino]-quinoxalin-2-yl}-benzenesulfonamide
CID 3727148
2,5-dichloro-N-{3-[(tetrahydrofuran-2-ylmethyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 4314561
1-((Tetrahydrofuran-2-yl)methyl)-3-tosyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 4434150
1-(phenylsulfonyl)-3-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 5110043

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (CID 3564142) is 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCC2CCCO2)c1.
What is the InChIKey of 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is RISSBMBXWCQJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-6-4-8-16(12-14)28(25,26)24-20-19(21-13-15-7-5-11-27-15)22-17-9-2-3-10-18(17)23-20/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3564142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).