N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide

C20H22N4O3S — CID 67035240

IUPACN,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C20H22N4O3S/c1-23(2)28(25,26)17-5-3-4-15(12-17)16-6-7-18-19(13-16)22-20(14-21-18)24-8-10-27-11-9-24/h3-7,12-14H,8-11H2,1-2H3
InChIKeyUWCDUWUUGNXEKM-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.38
Rot. Bonds4

About N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide

N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide (PubChem CID 67035240) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
PubChem CID67035240
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C20H22N4O3S/c1-23(2)28(25,26)17-5-3-4-15(12-17)16-6-7-18-19(13-16)22-20(14-21-18)24-8-10-27-11-9-24/h3-7,12-14H,8-11H2,1-2H3
InChIKeyUWCDUWUUGNXEKM-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide (CID 67035240) is N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
The InChIKey is UWCDUWUUGNXEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-23(2)28(25,26)17-5-3-4-15(12-17)16-6-7-18-19(13-16)22-20(14-21-18)24-8-10-27-11-9-24/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide?
N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide is sourced from PubChem (CID 67035240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).