2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

C9H10FN5O3S — CID 137499735

IUPAC2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C9H10FN5O3S/c10-7-5-6(9-12-14-15-13-9)1-2-8(7)19(17,18)11-3-4-16/h1-2,5,11,16H,3-4H2,(H,12,13,14,15)
InChIKeyJGCSMOYDXBBGDC-UHFFFAOYSA-N
MW287.28 g/mol
LogP-0.72
Rot. Bonds5

About 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 137499735) has the molecular formula C9H10FN5O3S and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID137499735
Molecular FormulaC9H10FN5O3S
Molecular Weight287.28 g/mol
Exact Mass287.05
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C9H10FN5O3S/c10-7-5-6(9-12-14-15-13-9)1-2-8(7)19(17,18)11-3-4-16/h1-2,5,11,16H,3-4H2,(H,12,13,14,15)
InChIKeyJGCSMOYDXBBGDC-UHFFFAOYSA-N
XLogP-0.72
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (CID 137499735) is 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is JGCSMOYDXBBGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O3S/c10-7-5-6(9-12-14-15-13-9)1-2-8(7)19(17,18)11-3-4-16/h1-2,5,11,16H,3-4H2,(H,12,13,14,15).
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 287.28 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 137499735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).