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

C18H15ClN4O5S — CID 2415608

IUPACN-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3nc2Cl)OCCO4)cc1
InChIInChI=1S/C18H15ClN4O5S/c1-10(24)20-11-2-4-12(5-3-11)29(25,26)23-18-17(19)21-13-8-15-16(9-14(13)22-18)28-7-6-27-15/h2-5,8-9H,6-7H2,1H3,(H,20,24)(H,22,23)
InChIKeyGYTPGODFLSBUJH-UHFFFAOYSA-N
MW434.86 g/mol
LogP2.81
Rot. Bonds4

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

N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2415608) has the molecular formula C18H15ClN4O5S and a molecular weight of 434.86 g/mol. Its IUPAC name is N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide
PubChem CID2415608
Molecular FormulaC18H15ClN4O5S
Molecular Weight434.86 g/mol
Exact Mass434.05
IUPAC NameN-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3nc2Cl)OCCO4)cc1
InChIInChI=1S/C18H15ClN4O5S/c1-10(24)20-11-2-4-12(5-3-11)29(25,26)23-18-17(19)21-13-8-15-16(9-14(13)22-18)28-7-6-27-15/h2-5,8-9H,6-7H2,1H3,(H,20,24)(H,22,23)
InChIKeyGYTPGODFLSBUJH-UHFFFAOYSA-N
XLogP2.81
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide (CID 2415608) is N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3nc2Cl)OCCO4)cc1.
What is the InChIKey of N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is GYTPGODFLSBUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O5S/c1-10(24)20-11-2-4-12(5-3-11)29(25,26)23-18-17(19)21-13-8-15-16(9-14(13)22-18)28-7-6-27-15/h2-5,8-9H,6-7H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 434.86 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2415608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).