N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

C20H16N4O4S2 — CID 2310450

IUPACN-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C20H16N4O4S2/c25-30(26,18-6-3-11-29-18)24-20-19(22-14-4-1-2-5-15(14)23-20)21-13-7-8-16-17(12-13)28-10-9-27-16/h1-8,11-12H,9-10H2,(H,21,22)(H,23,24)
InChIKeyLXXCHUVPDPYLBJ-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.01
Rot. Bonds5

About N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2310450) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2310450
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC NameN-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C20H16N4O4S2/c25-30(26,18-6-3-11-29-18)24-20-19(22-14-4-1-2-5-15(14)23-20)21-13-7-8-16-17(12-13)28-10-9-27-16/h1-8,11-12H,9-10H2,(H,21,22)(H,23,24)
InChIKeyLXXCHUVPDPYLBJ-UHFFFAOYSA-N
XLogP4.01
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1898287
4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1327266
N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398360
N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1402946
N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309400
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-{8-chloro-2H,3H-[1,4]dioxino[2,3-g]quinoxalin-7-yl}benzenesulfonamide
CID 2405342
N-[4-({8-chloro-2H,3H-[1,4]dioxino[2,3-g]quinoxalin-7-yl}sulfamoyl)phenyl]acetamide
CID 2415608
3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine
CID 56673746
N-[7-(4-acetylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl]benzenesulfonamide
CID 2566755
7,8-Dimethoxy-2,3-di-thiophen-2-yl-pyrazino[2,3-b]quinoxaline
CID 44399200
N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1399471

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2310450) is N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1cccs1.
What is the InChIKey of N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is LXXCHUVPDPYLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c25-30(26,18-6-3-11-29-18)24-20-19(22-14-4-1-2-5-15(14)23-20)21-13-7-8-16-17(12-13)28-10-9-27-16/h1-8,11-12H,9-10H2,(H,21,22)(H,23,24).
What are the key properties of N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 440.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2310450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).