2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

C9H9F2N5O3S — CID 137499946

IUPAC2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nn[nH]n2)c(F)c1F
InChIInChI=1S/C9H9F2N5O3S/c10-7-5(9-13-15-16-14-9)1-2-6(8(7)11)20(18,19)12-3-4-17/h1-2,12,17H,3-4H2,(H,13,14,15,16)
InChIKeyALVDTEURAFOBQO-UHFFFAOYSA-N
MW305.27 g/mol
LogP-0.58
Rot. Bonds5

About 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 137499946) has the molecular formula C9H9F2N5O3S and a molecular weight of 305.27 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID137499946
Molecular FormulaC9H9F2N5O3S
Molecular Weight305.27 g/mol
Exact Mass305.04
IUPAC Name2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nn[nH]n2)c(F)c1F
InChIInChI=1S/C9H9F2N5O3S/c10-7-5(9-13-15-16-14-9)1-2-6(8(7)11)20(18,19)12-3-4-17/h1-2,12,17H,3-4H2,(H,13,14,15,16)
InChIKeyALVDTEURAFOBQO-UHFFFAOYSA-N
XLogP-0.58
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (CID 137499946) is 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2nn[nH]n2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ALVDTEURAFOBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5O3S/c10-7-5(9-13-15-16-14-9)1-2-6(8(7)11)20(18,19)12-3-4-17/h1-2,12,17H,3-4H2,(H,13,14,15,16).
What are the key properties of 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 305.27 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 137499946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).