3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide

C19H15ClN4O3S2 — CID 23122658

IUPAC3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2sccc2nc1OCc1cccnc1
InChIInChI=1S/C19H15ClN4O3S2/c1-12-14(20)5-2-6-16(12)29(25,26)24-17-18(22-15-7-9-28-19(15)23-17)27-11-13-4-3-8-21-10-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyPFWYBFWZFTZETB-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.43
Rot. Bonds6

About 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide

3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide (PubChem CID 23122658) has the molecular formula C19H15ClN4O3S2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
PubChem CID23122658
Molecular FormulaC19H15ClN4O3S2
Molecular Weight446.94 g/mol
Exact Mass446.03
IUPAC Name3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc2sccc2nc1OCc1cccnc1
InChIInChI=1S/C19H15ClN4O3S2/c1-12-14(20)5-2-6-16(12)29(25,26)24-17-18(22-15-7-9-28-19(15)23-17)27-11-13-4-3-8-21-10-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyPFWYBFWZFTZETB-UHFFFAOYSA-N
XLogP4.43
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide (CID 23122658) is 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2sccc2nc1OCc1cccnc1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide?
The InChIKey is PFWYBFWZFTZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S2/c1-12-14(20)5-2-6-16(12)29(25,26)24-17-18(22-15-7-9-28-19(15)23-17)27-11-13-4-3-8-21-10-13/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide has a molecular weight of 446.94 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 23122658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).