N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide

C19H18N4O4S — CID 9281076

IUPACN-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide
SMILESC=CCNc1nc2cc3c(cc2nc1NS(=O)(=O)c1ccccc1)OCCO3
InChIInChI=1S/C19H18N4O4S/c1-2-8-20-18-19(23-28(24,25)13-6-4-3-5-7-13)22-15-12-17-16(11-14(15)21-18)26-9-10-27-17/h2-7,11-12H,1,8-10H2,(H,20,21)(H,22,23)
InChIKeyZMBJHLFMFFVBJZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.80
Rot. Bonds6

About N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide

N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide (PubChem CID 9281076) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide
PubChem CID9281076
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide
SMILESC=CCNc1nc2cc3c(cc2nc1NS(=O)(=O)c1ccccc1)OCCO3
InChIInChI=1S/C19H18N4O4S/c1-2-8-20-18-19(23-28(24,25)13-6-4-3-5-7-13)22-15-12-17-16(11-14(15)21-18)26-9-10-27-17/h2-7,11-12H,1,8-10H2,(H,20,21)(H,22,23)
InChIKeyZMBJHLFMFFVBJZ-UHFFFAOYSA-N
XLogP2.80
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide?
The IUPAC name of N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide (CID 9281076) is N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide.
What is the SMILES notation for N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide?
The canonical SMILES for N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide is C=CCNc1nc2cc3c(cc2nc1NS(=O)(=O)c1ccccc1)OCCO3.
What is the InChIKey of N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide?
The InChIKey is ZMBJHLFMFFVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-2-8-20-18-19(23-28(24,25)13-6-4-3-5-7-13)22-15-12-17-16(11-14(15)21-18)26-9-10-27-17/h2-7,11-12H,1,8-10H2,(H,20,21)(H,22,23).
What are the key properties of N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide?
N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide has a molecular weight of 398.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(prop-2-enylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-7-yl]benzenesulfonamide is sourced from PubChem (CID 9281076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).