4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide

C15H14F2N6O3S — CID 137499764

IUPAC4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ncc(F)cc3F)n2)cc1
InChIInChI=1S/C15H14F2N6O3S/c16-11-7-13(17)14(18-8-11)9-23-21-15(20-22-23)10-1-3-12(4-2-10)27(25,26)19-5-6-24/h1-4,7-8,19,24H,5-6,9H2
InChIKeyIYOSRSHRSCLHLX-UHFFFAOYSA-N
MW396.38 g/mol
LogP0.33
Rot. Bonds7

About 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide

4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 137499764) has the molecular formula C15H14F2N6O3S and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID137499764
Molecular FormulaC15H14F2N6O3S
Molecular Weight396.38 g/mol
Exact Mass396.08
IUPAC Name4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ncc(F)cc3F)n2)cc1
InChIInChI=1S/C15H14F2N6O3S/c16-11-7-13(17)14(18-8-11)9-23-21-15(20-22-23)10-1-3-12(4-2-10)27(25,26)19-5-6-24/h1-4,7-8,19,24H,5-6,9H2
InChIKeyIYOSRSHRSCLHLX-UHFFFAOYSA-N
XLogP0.33
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
N-(2-hydroxyethyl)-4-[2-(3-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499675
N-(2-hydroxyethyl)-4-[2-[(6-methyl-2-pyridyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 137499684
2,6-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499704
2-[[4-[2-[(5-Methyl-2-pyridyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
CID 137499710
4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methyl-benzenesulfonamide
CID 137499713
2-fluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methyl-benzenesulfonamide
CID 137499719
2,3-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499729
4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 137499741
N-[(2R)-2-hydroxypropyl]-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499750
N-ethyl-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499753
N-(cyanomethyl)-4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 137499761

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 137499764) is 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ncc(F)cc3F)n2)cc1.
What is the InChIKey of 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IYOSRSHRSCLHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O3S/c16-11-7-13(17)14(18-8-11)9-23-21-15(20-22-23)10-1-3-12(4-2-10)27(25,26)19-5-6-24/h1-4,7-8,19,24H,5-6,9H2.
What are the key properties of 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 396.38 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-difluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 137499764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).