N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C19H14N8O2S — CID 52936958

IUPACN-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4nn[nH]n4)n3c2)c1)c1ccccc1
InChIInChI=1S/C19H14N8O2S/c28-30(29,16-4-2-1-3-5-16)24-15-8-14(9-20-10-15)13-6-7-18-21-11-17(27(18)12-13)19-22-25-26-23-19/h1-12,24H,(H,22,23,25,26)
InChIKeyMKTISWWVUSCFFM-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.38
Rot. Bonds5

About N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 52936958) has the molecular formula C19H14N8O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID52936958
Molecular FormulaC19H14N8O2S
Molecular Weight418.44 g/mol
Exact Mass418.10
IUPAC NameN-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4nn[nH]n4)n3c2)c1)c1ccccc1
InChIInChI=1S/C19H14N8O2S/c28-30(29,16-4-2-1-3-5-16)24-15-8-14(9-20-10-15)13-6-7-18-21-11-17(27(18)12-13)19-22-25-26-23-19/h1-12,24H,(H,22,23,25,26)
InChIKeyMKTISWWVUSCFFM-UHFFFAOYSA-N
XLogP2.38
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 52936958) is N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4nn[nH]n4)n3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is MKTISWWVUSCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O2S/c28-30(29,16-4-2-1-3-5-16)24-15-8-14(9-20-10-15)13-6-7-18-21-11-17(27(18)12-13)19-22-25-26-23-19/h1-12,24H,(H,22,23,25,26).
What are the key properties of N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 418.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).