N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide

C18H13N3O2S2 — CID 6624082

IUPACN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1
InChIInChI=1S/C18H13N3O2S2/c22-25(23,15-5-2-1-3-6-15)21-14-10-8-13(9-11-14)17-20-16-7-4-12-19-18(16)24-17/h1-12,21H
InChIKeyXFYYXLNRNZMKJG-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.16
Rot. Bonds4

About N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide

N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 6624082) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID6624082
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1
InChIInChI=1S/C18H13N3O2S2/c22-25(23,15-5-2-1-3-6-15)21-14-10-8-13(9-11-14)17-20-16-7-4-12-19-18(16)24-17/h1-12,21H
InChIKeyXFYYXLNRNZMKJG-UHFFFAOYSA-N
XLogP4.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (CID 6624082) is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1.
What is the InChIKey of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is XFYYXLNRNZMKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-25(23,15-5-2-1-3-6-15)21-14-10-8-13(9-11-14)17-20-16-7-4-12-19-18(16)24-17/h1-12,21H.
What are the key properties of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 367.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 6624082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).