N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide

C17H11ClN4O2S2 — CID 164616377

IUPACN-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3scnc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H11ClN4O2S2/c18-16-14(22-26(23,24)13-4-2-1-3-5-13)6-11(8-19-16)12-7-15-17(20-9-12)25-10-21-15/h1-10,22H
InChIKeyKKJLCITVXGVBEU-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.21
Rot. Bonds4

About N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164616377) has the molecular formula C17H11ClN4O2S2 and a molecular weight of 402.89 g/mol. Its IUPAC name is N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164616377
Molecular FormulaC17H11ClN4O2S2
Molecular Weight402.89 g/mol
Exact Mass402.00
IUPAC NameN-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3scnc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H11ClN4O2S2/c18-16-14(22-26(23,24)13-4-2-1-3-5-13)6-11(8-19-16)12-7-15-17(20-9-12)25-10-21-15/h1-10,22H
InChIKeyKKJLCITVXGVBEU-UHFFFAOYSA-N
XLogP4.21
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164616377) is N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3scnc3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is KKJLCITVXGVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S2/c18-16-14(22-26(23,24)13-4-2-1-3-5-13)6-11(8-19-16)12-7-15-17(20-9-12)25-10-21-15/h1-10,22H.
What are the key properties of N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 402.89 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164616377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).