N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide

C19H21N3O3S — CID 2303591

IUPACN-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)12-13-25-19-18(20-16-10-6-7-11-17(16)21-19)22-26(23,24)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyPNHISQISUCOKPP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.86
Rot. Bonds7

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

N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2303591) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2303591
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)12-13-25-19-18(20-16-10-6-7-11-17(16)21-19)22-26(23,24)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyPNHISQISUCOKPP-UHFFFAOYSA-N
XLogP3.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
CID 2828955
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
CID 163248782
4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076249
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075922
4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075921

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide (CID 2303591) is N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide is CC(C)CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is PNHISQISUCOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(2)12-13-25-19-18(20-16-10-6-7-11-17(16)21-19)22-26(23,24)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2303591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).