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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Related Compounds

N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499940
3-amino-4-fluoro-2,6-dimethyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107325726
N-[[(2R)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429463
N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429464
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
4-(3-fluoro-4-methylphenyl)-1-(oxan-2-ylmethyl)pyrazole
CID 155276041
4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
CID 55090457
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 72896002

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).