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

C16H17FN6O3S — CID 137499713

IUPAC4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(Cc2ccc(F)cn2)n1
InChIInChI=1S/C16H17FN6O3S/c1-11-8-14(27(25,26)19-6-7-24)4-5-15(11)16-20-22-23(21-16)10-13-3-2-12(17)9-18-13/h2-5,8-9,19,24H,6-7,10H2,1H3
InChIKeyIGKIPEPVIRABKI-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.50
Rot. Bonds7

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

4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (PubChem CID 137499713) 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-(2-hydroxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
PubChem CID137499713
Molecular FormulaC16H17FN6O3S
Molecular Weight392.42 g/mol
Exact Mass392.11
IUPAC Name4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(Cc2ccc(F)cn2)n1
InChIInChI=1S/C16H17FN6O3S/c1-11-8-14(27(25,26)19-6-7-24)4-5-15(11)16-20-22-23(21-16)10-13-3-2-12(17)9-18-13/h2-5,8-9,19,24H,6-7,10H2,1H3
InChIKeyIGKIPEPVIRABKI-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (CID 137499713) is 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(Cc2ccc(F)cn2)n1.
What is the InChIKey of 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is IGKIPEPVIRABKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O3S/c1-11-8-14(27(25,26)19-6-7-24)4-5-15(11)16-20-22-23(21-16)10-13-3-2-12(17)9-18-13/h2-5,8-9,19,24H,6-7,10H2,1H3.
What are the key properties of 4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 392.42 g/mol, XLogP of 0.50, 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-(2-hydroxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 137499713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).