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

C16H12ClN3O4S — CID 2405342

IUPACN-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2cc3c(cc2nc1Cl)OCCO3)c1ccccc1
InChIInChI=1S/C16H12ClN3O4S/c17-15-16(20-25(21,22)10-4-2-1-3-5-10)19-12-9-14-13(8-11(12)18-15)23-6-7-24-14/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyRJGXMYNAKHGAOL-UHFFFAOYSA-N
MW377.81 g/mol
LogP2.86
Rot. Bonds3

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

N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide (PubChem CID 2405342) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide
PubChem CID2405342
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC NameN-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2cc3c(cc2nc1Cl)OCCO3)c1ccccc1
InChIInChI=1S/C16H12ClN3O4S/c17-15-16(20-25(21,22)10-4-2-1-3-5-10)19-12-9-14-13(8-11(12)18-15)23-6-7-24-14/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyRJGXMYNAKHGAOL-UHFFFAOYSA-N
XLogP2.86
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide?
The IUPAC name of N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide (CID 2405342) is N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide?
The canonical SMILES for N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide is O=S(=O)(Nc1nc2cc3c(cc2nc1Cl)OCCO3)c1ccccc1.
What is the InChIKey of N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide?
The InChIKey is RJGXMYNAKHGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c17-15-16(20-25(21,22)10-4-2-1-3-5-10)19-12-9-14-13(8-11(12)18-15)23-6-7-24-14/h1-5,8-9H,6-7H2,(H,19,20).
What are the key properties of N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide?
N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide has a molecular weight of 377.81 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)benzenesulfonamide is sourced from PubChem (CID 2405342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).