N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide

C18H19N3O3S — CID 2828955

IUPACN-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
SMILESCCC(C)Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-3-13(2)24-18-17(19-15-11-7-8-12-16(15)20-18)21-25(22,23)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyMLFFJCKWKRJXAX-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.61
Rot. Bonds6

About N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide

N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide (PubChem CID 2828955) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
PubChem CID2828955
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
SMILESCCC(C)Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-3-13(2)24-18-17(19-15-11-7-8-12-16(15)20-18)21-25(22,23)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyMLFFJCKWKRJXAX-UHFFFAOYSA-N
XLogP3.61
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
CID 163248782
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide
CID 67403098
4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076249
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[3-[1,3-bis(dimethylamino)propan-2-yloxy]quinoxalin-2-yl]-2-chlorobenzenesulfonamide
CID 67402134
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide
CID 67402942

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide (CID 2828955) is N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide is CCC(C)Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is MLFFJCKWKRJXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-13(2)24-18-17(19-15-11-7-8-12-16(15)20-18)21-25(22,23)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide?
N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2828955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).