N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide

C21H21ClN4O4S — CID 11442568

IUPACN-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
SMILESCC1COCC(C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C21H21ClN4O4S/c1-13-11-30-12-14(2)26(13)21(27)16-7-6-15(22)10-18(16)25-31(28,29)19-5-3-4-17-20(19)24-9-8-23-17/h3-10,13-14,25H,11-12H2,1-2H3
InChIKeyDBWWPNLQGRPLIF-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.33
Rot. Bonds4

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

N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide (PubChem CID 11442568) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
PubChem CID11442568
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC NameN-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
SMILESCC1COCC(C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C21H21ClN4O4S/c1-13-11-30-12-14(2)26(13)21(27)16-7-6-15(22)10-18(16)25-31(28,29)19-5-3-4-17-20(19)24-9-8-23-17/h3-10,13-14,25H,11-12H2,1-2H3
InChIKeyDBWWPNLQGRPLIF-UHFFFAOYSA-N
XLogP3.33
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.33
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-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide (CID 11442568) is N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide is CC1COCC(C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
The InChIKey is DBWWPNLQGRPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-13-11-30-12-14(2)26(13)21(27)16-7-6-15(22)10-18(16)25-31(28,29)19-5-3-4-17-20(19)24-9-8-23-17/h3-10,13-14,25H,11-12H2,1-2H3.
What are the key properties of N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide?
N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide has a molecular weight of 460.94 g/mol, XLogP of 3.33, 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-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 11442568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).