2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide

C15H19F2N5O4S — CID 137499842

IUPAC2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1c(F)cc(-c2nnn(CC3CCCCO3)n2)cc1F
InChIInChI=1S/C15H19F2N5O4S/c16-12-7-10(8-13(17)14(12)27(24,25)18-4-5-23)15-19-21-22(20-15)9-11-3-1-2-6-26-11/h7-8,11,18,23H,1-6,9H2
InChIKeyUDLWSRSMNDIVAV-UHFFFAOYSA-N
MW403.41 g/mol
LogP0.46
Rot. Bonds7

About 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide

2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499842) has the molecular formula C15H19F2N5O4S and a molecular weight of 403.41 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499842
Molecular FormulaC15H19F2N5O4S
Molecular Weight403.41 g/mol
Exact Mass403.11
IUPAC Name2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1c(F)cc(-c2nnn(CC3CCCCO3)n2)cc1F
InChIInChI=1S/C15H19F2N5O4S/c16-12-7-10(8-13(17)14(12)27(24,25)18-4-5-23)15-19-21-22(20-15)9-11-3-1-2-6-26-11/h7-8,11,18,23H,1-6,9H2
InChIKeyUDLWSRSMNDIVAV-UHFFFAOYSA-N
XLogP0.46
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499842) is 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide is O=S(=O)(NCCO)c1c(F)cc(-c2nnn(CC3CCCCO3)n2)cc1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is UDLWSRSMNDIVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O4S/c16-12-7-10(8-13(17)14(12)27(24,25)18-4-5-23)15-19-21-22(20-15)9-11-3-1-2-6-26-11/h7-8,11,18,23H,1-6,9H2.
What are the key properties of 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 403.41 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).