3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide

C15H13ClN2O3S — CID 171471467

IUPAC3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2coc3cc(Cl)cnc23)c1
InChIInChI=1S/C15H13ClN2O3S/c1-18(2)22(19,20)12-5-3-4-10(6-12)13-9-21-14-7-11(16)8-17-15(13)14/h3-9H,1-2H3
InChIKeyUHBHAXJCWSLWJB-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.40
Rot. Bonds3

About 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide

3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 171471467) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID171471467
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2coc3cc(Cl)cnc23)c1
InChIInChI=1S/C15H13ClN2O3S/c1-18(2)22(19,20)12-5-3-4-10(6-12)13-9-21-14-7-11(16)8-17-15(13)14/h3-9H,1-2H3
InChIKeyUHBHAXJCWSLWJB-UHFFFAOYSA-N
XLogP3.40
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide (CID 171471467) is 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2coc3cc(Cl)cnc23)c1.
What is the InChIKey of 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is UHBHAXJCWSLWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-18(2)22(19,20)12-5-3-4-10(6-12)13-9-21-14-7-11(16)8-17-15(13)14/h3-9H,1-2H3.
What are the key properties of 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide?
3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chlorofuro[3,2-b]pyridin-3-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 171471467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).