N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide

C20H19ClN4O4S — CID 11442229

IUPACN-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide
SMILESC[C@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C20H19ClN4O4S/c1-13-12-29-10-9-25(13)20(26)15-6-5-14(21)11-17(15)24-30(27,28)18-4-2-3-16-19(18)23-8-7-22-16/h2-8,11,13,24H,9-10,12H2,1H3/t13-/m0/s1
InChIKeyGTFGMVIPJXVJOV-ZDUSSCGKSA-N
MW446.92 g/mol
LogP2.94
Rot. Bonds4

About N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide

N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide (PubChem CID 11442229) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide
PubChem CID11442229
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC NameN-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide
SMILESC[C@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C20H19ClN4O4S/c1-13-12-29-10-9-25(13)20(26)15-6-5-14(21)11-17(15)24-30(27,28)18-4-2-3-16-19(18)23-8-7-22-16/h2-8,11,13,24H,9-10,12H2,1H3/t13-/m0/s1
InChIKeyGTFGMVIPJXVJOV-ZDUSSCGKSA-N
XLogP2.94
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide (CID 11442229) is N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide is C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The InChIKey is GTFGMVIPJXVJOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-13-12-29-10-9-25(13)20(26)15-6-5-14(21)11-17(15)24-30(27,28)18-4-2-3-16-19(18)23-8-7-22-16/h2-8,11,13,24H,9-10,12H2,1H3/t13-/m0/s1.
What are the key properties of N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide?
N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide has a molecular weight of 446.92 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 11442229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).