2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide

C15H13F3N6O3S — CID 137499704

IUPAC2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1c(F)cc(-c2nnn(Cc3ccc(F)cn3)n2)cc1F
InChIInChI=1S/C15H13F3N6O3S/c16-10-1-2-11(19-7-10)8-24-22-15(21-23-24)9-5-12(17)14(13(18)6-9)28(26,27)20-3-4-25/h1-2,5-7,20,25H,3-4,8H2
InChIKeyNBQAPYCDOMIXNM-UHFFFAOYSA-N
MW414.37 g/mol
LogP0.47
Rot. Bonds7

About 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide

2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 137499704) has the molecular formula C15H13F3N6O3S and a molecular weight of 414.37 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID137499704
Molecular FormulaC15H13F3N6O3S
Molecular Weight414.37 g/mol
Exact Mass414.07
IUPAC Name2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1c(F)cc(-c2nnn(Cc3ccc(F)cn3)n2)cc1F
InChIInChI=1S/C15H13F3N6O3S/c16-10-1-2-11(19-7-10)8-24-22-15(21-23-24)9-5-12(17)14(13(18)6-9)28(26,27)20-3-4-25/h1-2,5-7,20,25H,3-4,8H2
InChIKeyNBQAPYCDOMIXNM-UHFFFAOYSA-N
XLogP0.47
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)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 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 137499704) is 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1c(F)cc(-c2nnn(Cc3ccc(F)cn3)n2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is NBQAPYCDOMIXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O3S/c16-10-1-2-11(19-7-10)8-24-22-15(21-23-24)9-5-12(17)14(13(18)6-9)28(26,27)20-3-4-25/h1-2,5-7,20,25H,3-4,8H2.
What are the key properties of 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 414.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 137499704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).