N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide

C19H17IN4O4S — CID 11352971

IUPACN-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
SMILESO=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1
InChIInChI=1S/C19H17IN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2
InChIKeyZGNZXTPZDMUKIG-UHFFFAOYSA-N
MW524.34 g/mol
LogP2.51
Rot. Bonds4

About N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide

N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide (PubChem CID 11352971) has the molecular formula C19H17IN4O4S and a molecular weight of 524.34 g/mol. Its IUPAC name is N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
PubChem CID11352971
Molecular FormulaC19H17IN4O4S
Molecular Weight524.34 g/mol
Exact Mass524.00
IUPAC NameN-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
SMILESO=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1
InChIInChI=1S/C19H17IN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2
InChIKeyZGNZXTPZDMUKIG-UHFFFAOYSA-N
XLogP2.51
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide (CID 11352971) is N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide is O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1.
What is the InChIKey of N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The InChIKey is ZGNZXTPZDMUKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2.
What are the key properties of N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide has a molecular weight of 524.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-iodo-2-(morpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 11352971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).