3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine

C22H22ClN5O3S — CID 666843

IUPAC3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCN1CCOCC1
InChIInChI=1S/C22H22ClN5O3S/c23-15-4-3-5-16(14-15)32(29,30)20-19-22(26-18-7-2-1-6-17(18)25-19)28(21(20)24)9-8-27-10-12-31-13-11-27/h1-7,14H,8-13,24H2
InChIKeyWBBFUGCMNBSUSW-UHFFFAOYSA-N
MW471.97 g/mol
LogP2.99
Rot. Bonds5

About 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine

3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 666843) has the molecular formula C22H22ClN5O3S and a molecular weight of 471.97 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID666843
Molecular FormulaC22H22ClN5O3S
Molecular Weight471.97 g/mol
Exact Mass471.11
IUPAC Name3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCN1CCOCC1
InChIInChI=1S/C22H22ClN5O3S/c23-15-4-3-5-16(14-15)32(29,30)20-19-22(26-18-7-2-1-6-17(18)25-19)28(21(20)24)9-8-27-10-12-31-13-11-27/h1-7,14H,8-13,24H2
InChIKeyWBBFUGCMNBSUSW-UHFFFAOYSA-N
XLogP2.99
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 666843) is 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCN1CCOCC1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is WBBFUGCMNBSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3S/c23-15-4-3-5-16(14-15)32(29,30)20-19-22(26-18-7-2-1-6-17(18)25-19)28(21(20)24)9-8-27-10-12-31-13-11-27/h1-7,14H,8-13,24H2.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 471.97 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 666843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).