1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine

C17H17Cl2N3O2S2 — CID 10202958

IUPAC1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1scc(Cl)c1Cl)n1cc(CC2CCNCC2)c2cccnc21
InChIInChI=1S/C17H17Cl2N3O2S2/c18-14-10-25-17(15(14)19)26(23,24)22-9-12(8-11-3-6-20-7-4-11)13-2-1-5-21-16(13)22/h1-2,5,9-11,20H,3-4,6-8H2
InChIKeyZSIZWCJAMCGXQA-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.18
Rot. Bonds4

About 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine

1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 10202958) has the molecular formula C17H17Cl2N3O2S2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID10202958
Molecular FormulaC17H17Cl2N3O2S2
Molecular Weight430.38 g/mol
Exact Mass429.01
IUPAC Name1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1scc(Cl)c1Cl)n1cc(CC2CCNCC2)c2cccnc21
InChIInChI=1S/C17H17Cl2N3O2S2/c18-14-10-25-17(15(14)19)26(23,24)22-9-12(8-11-3-6-20-7-4-11)13-2-1-5-21-16(13)22/h1-2,5,9-11,20H,3-4,6-8H2
InChIKeyZSIZWCJAMCGXQA-UHFFFAOYSA-N
XLogP4.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine (CID 10202958) is 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine is O=S(=O)(c1scc(Cl)c1Cl)n1cc(CC2CCNCC2)c2cccnc21.
What is the InChIKey of 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is ZSIZWCJAMCGXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S2/c18-14-10-25-17(15(14)19)26(23,24)22-9-12(8-11-3-6-20-7-4-11)13-2-1-5-21-16(13)22/h1-2,5,9-11,20H,3-4,6-8H2.
What are the key properties of 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine?
1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 430.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorothiophen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10202958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).