4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

C16H17FN6O3S — CID 137499741

IUPAC4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1
InChIInChI=1S/C16H17FN6O3S/c1-11(24)8-19-27(25,26)15-6-2-12(3-7-15)16-20-22-23(21-16)10-14-5-4-13(17)9-18-14/h2-7,9,11,19,24H,8,10H2,1H3/t11-/m1/s1
InChIKeyICZQBNFLBOUJCI-LLVKDONJSA-N
MW392.42 g/mol
LogP0.58
Rot. Bonds7

About 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 137499741) has the molecular formula C16H17FN6O3S and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
PubChem CID137499741
Molecular FormulaC16H17FN6O3S
Molecular Weight392.42 g/mol
Exact Mass392.11
IUPAC Name4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1
InChIInChI=1S/C16H17FN6O3S/c1-11(24)8-19-27(25,26)15-6-2-12(3-7-15)16-20-22-23(21-16)10-14-5-4-13(17)9-18-14/h2-7,9,11,19,24H,8,10H2,1H3/t11-/m1/s1
InChIKeyICZQBNFLBOUJCI-LLVKDONJSA-N
XLogP0.58
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.58
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
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
4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 137499757
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-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (CID 137499741) is 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1.
What is the InChIKey of 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is ICZQBNFLBOUJCI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN6O3S/c1-11(24)8-19-27(25,26)15-6-2-12(3-7-15)16-20-22-23(21-16)10-14-5-4-13(17)9-18-14/h2-7,9,11,19,24H,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 392.42 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 137499741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).