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

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Related Compounds

3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
CID 23122769
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
CID 57493723
3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
CID 23122763
N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10239030
3-chloro-N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]pyrido[3,4-b]pyrazin-3-yl]-2-methylbenzenesulfonamide
CID 23122950
3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide
CID 23122823
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzenesulfonamide
CID 23122652
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 59168194
2,3-dichloro-N-[5-chloro-3-[(6-methoxy-3-pyridinyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 10288760

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).