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

C15H13F3N6O3S — CID 137499729

IUPAC2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)c(F)c1F
InChIInChI=1S/C15H13F3N6O3S/c16-9-1-2-10(19-7-9)8-24-22-15(21-23-24)11-3-4-12(14(18)13(11)17)28(26,27)20-5-6-25/h1-4,7,20,25H,5-6,8H2
InChIKeyKPBOAMBNJJTHRI-UHFFFAOYSA-N
MW414.37 g/mol
LogP0.47
Rot. Bonds7

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

2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 137499729) has the molecular formula C15H13F3N6O3S and a molecular weight of 414.37 g/mol. Its IUPAC name is 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID137499729
Molecular FormulaC15H13F3N6O3S
Molecular Weight414.37 g/mol
Exact Mass414.07
IUPAC Name2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)c(F)c1F
InChIInChI=1S/C15H13F3N6O3S/c16-9-1-2-10(19-7-9)8-24-22-15(21-23-24)11-3-4-12(14(18)13(11)17)28(26,27)20-5-6-25/h1-4,7,20,25H,5-6,8H2
InChIKeyKPBOAMBNJJTHRI-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

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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
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
4-[2-[(3,5-difluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499764

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 137499729) is 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is KPBOAMBNJJTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O3S/c16-9-1-2-10(19-7-9)8-24-22-15(21-23-24)11-3-4-12(14(18)13(11)17)28(26,27)20-5-6-25/h1-4,7,20,25H,5-6,8H2.
What are the key properties of 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
2,3-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 2,3-difluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 137499729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).