2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide

C15H15N5O2S — CID 110720322

IUPAC2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H15N5O2S/c21-23(22,10-9-12-5-2-1-3-6-12)18-14-8-4-7-13(11-14)15-16-19-20-17-15/h1-8,11,18H,9-10H2,(H,16,17,19,20)
InChIKeyKJAWCXCWEULRFG-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.85
Rot. Bonds6

About 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide

2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide (PubChem CID 110720322) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
PubChem CID110720322
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H15N5O2S/c21-23(22,10-9-12-5-2-1-3-6-12)18-14-8-4-7-13(11-14)15-16-19-20-17-15/h1-8,11,18H,9-10H2,(H,16,17,19,20)
InChIKeyKJAWCXCWEULRFG-UHFFFAOYSA-N
XLogP1.85
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide (CID 110720322) is 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
The InChIKey is KJAWCXCWEULRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-23(22,10-9-12-5-2-1-3-6-12)18-14-8-4-7-13(11-14)15-16-19-20-17-15/h1-8,11,18H,9-10H2,(H,16,17,19,20).
What are the key properties of 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110720322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).