4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

C22H23N5O5S — CID 23075738

IUPAC4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCOCC3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C22H23N5O5S/c1-16-4-6-18(7-5-16)33(29,30)26-20-21(32-15-17-3-2-8-23-13-17)25-19(14-24-20)22(28)27-9-11-31-12-10-27/h2-8,13-14H,9-12,15H2,1H3,(H,24,26)
InChIKeySTYQJSOARWCTIV-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.03
Rot. Bonds7

About 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075738) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23075738
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCOCC3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C22H23N5O5S/c1-16-4-6-18(7-5-16)33(29,30)26-20-21(32-15-17-3-2-8-23-13-17)25-19(14-24-20)22(28)27-9-11-31-12-10-27/h2-8,13-14H,9-12,15H2,1H3,(H,24,26)
InChIKeySTYQJSOARWCTIV-UHFFFAOYSA-N
XLogP2.03
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23075738) is 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCOCC3)nc2OCc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is STYQJSOARWCTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-16-4-6-18(7-5-16)33(29,30)26-20-21(32-15-17-3-2-8-23-13-17)25-19(14-24-20)22(28)27-9-11-31-12-10-27/h2-8,13-14H,9-12,15H2,1H3,(H,24,26).
What are the key properties of 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 469.52 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).