2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide

C15H14FN7O3S — CID 137499906

IUPAC2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1
InChIInChI=1S/C15H14FN7O3S/c16-11-3-4-12(18-7-11)9-23-21-15(20-22-23)10-1-5-13(6-2-10)27(25,26)19-8-14(17)24/h1-7,19H,8-9H2,(H2,17,24)
InChIKeyKPIHUOYSYPQIHR-UHFFFAOYSA-N
MW391.39 g/mol
LogP-0.31
Rot. Bonds7

About 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide

2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide (PubChem CID 137499906) has the molecular formula C15H14FN7O3S and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
PubChem CID137499906
Molecular FormulaC15H14FN7O3S
Molecular Weight391.39 g/mol
Exact Mass391.09
IUPAC Name2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1
InChIInChI=1S/C15H14FN7O3S/c16-11-3-4-12(18-7-11)9-23-21-15(20-22-23)10-1-5-13(6-2-10)27(25,26)19-8-14(17)24/h1-7,19H,8-9H2,(H2,17,24)
InChIKeyKPIHUOYSYPQIHR-UHFFFAOYSA-N
XLogP-0.31
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
(2R)-N-[(4-(18F)fluoro-2-pyridinyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 155521368
2-{5-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-tetrazol-2-yl}-N-(2-pyrrol-1-yl-phenyl)-acetamide
CID 654426
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide (CID 137499906) is 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1.
What is the InChIKey of 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The InChIKey is KPIHUOYSYPQIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O3S/c16-11-3-4-12(18-7-11)9-23-21-15(20-22-23)10-1-5-13(6-2-10)27(25,26)19-8-14(17)24/h1-7,19H,8-9H2,(H2,17,24).
What are the key properties of 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide has a molecular weight of 391.39 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 137499906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).