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

C16H16F2N6O3S — CID 137499719

IUPAC2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)c(F)cc1-c1nnn(Cc2ccc(F)cn2)n1
InChIInChI=1S/C16H16F2N6O3S/c1-10-6-15(28(26,27)20-4-5-25)14(18)7-13(10)16-21-23-24(22-16)9-12-3-2-11(17)8-19-12/h2-3,6-8,20,25H,4-5,9H2,1H3
InChIKeyKAKICEJZEZVQCA-UHFFFAOYSA-N
MW410.41 g/mol
LogP0.64
Rot. Bonds7

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

2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide (PubChem CID 137499719) has the molecular formula C16H16F2N6O3S and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
PubChem CID137499719
Molecular FormulaC16H16F2N6O3S
Molecular Weight410.41 g/mol
Exact Mass410.10
IUPAC Name2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)c(F)cc1-c1nnn(Cc2ccc(F)cn2)n1
InChIInChI=1S/C16H16F2N6O3S/c1-10-6-15(28(26,27)20-4-5-25)14(18)7-13(10)16-21-23-24(22-16)9-12-3-2-11(17)8-19-12/h2-3,6-8,20,25H,4-5,9H2,1H3
InChIKeyKAKICEJZEZVQCA-UHFFFAOYSA-N
XLogP0.64
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide (CID 137499719) is 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCO)c(F)cc1-c1nnn(Cc2ccc(F)cn2)n1.
What is the InChIKey of 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
The InChIKey is KAKICEJZEZVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O3S/c1-10-6-15(28(26,27)20-4-5-25)14(18)7-13(10)16-21-23-24(22-16)9-12-3-2-11(17)8-19-12/h2-3,6-8,20,25H,4-5,9H2,1H3.
What are the key properties of 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide?
2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide has a molecular weight of 410.41 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 137499719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).