2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C19H12F2N8O2S — CID 52937066

IUPAC2,4-difluoro-N-[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)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2N8O2S/c20-13-2-3-17(15(21)6-13)32(30,31)26-14-5-12(7-22-8-14)11-1-4-18-23-9-16(29(18)10-11)19-24-27-28-25-19/h1-10,26H,(H,24,25,27,28)
InChIKeyGCMBYPIURLWDJE-UHFFFAOYSA-N
MW454.42 g/mol
LogP2.66
Rot. Bonds5

About 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 52937066) has the molecular formula C19H12F2N8O2S and a molecular weight of 454.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID52937066
Molecular FormulaC19H12F2N8O2S
Molecular Weight454.42 g/mol
Exact Mass454.08
IUPAC Name2,4-difluoro-N-[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)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2N8O2S/c20-13-2-3-17(15(21)6-13)32(30,31)26-14-5-12(7-22-8-14)11-1-4-18-23-9-16(29(18)10-11)19-24-27-28-25-19/h1-10,26H,(H,24,25,27,28)
InChIKeyGCMBYPIURLWDJE-UHFFFAOYSA-N
XLogP2.66
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 52937066) is 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-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)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is GCMBYPIURLWDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N8O2S/c20-13-2-3-17(15(21)6-13)32(30,31)26-14-5-12(7-22-8-14)11-1-4-18-23-9-16(29(18)10-11)19-24-27-28-25-19/h1-10,26H,(H,24,25,27,28).
What are the key properties of 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 454.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[3-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52937066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).