2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide

C11H13N5O2S — CID 78977229

IUPAC2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
SMILESCC(NS(=O)(=O)C=Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H13N5O2S/c1-9(11-12-15-16-13-11)14-19(17,18)8-7-10-5-3-2-4-6-10/h2-9,14H,1H3,(H,12,13,15,16)
InChIKeyBTBAJQWHIBRTOX-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.85
Rot. Bonds5

About 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide

2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide (PubChem CID 78977229) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
PubChem CID78977229
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
SMILESCC(NS(=O)(=O)C=Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H13N5O2S/c1-9(11-12-15-16-13-11)14-19(17,18)8-7-10-5-3-2-4-6-10/h2-9,14H,1H3,(H,12,13,15,16)
InChIKeyBTBAJQWHIBRTOX-UHFFFAOYSA-N
XLogP0.85
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
CID 43501665
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
[2-(carbamoylamino)-2-oxoethyl] 3-methyl-2-(2-phenylethenylsulfonylamino)butanoate
CID 3530916
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588
2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide
CID 107651825
1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
CID 106051381
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
CID 167832614
4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107650040

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide?
The IUPAC name of 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide (CID 78977229) is 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide.
What is the SMILES notation for 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide?
The canonical SMILES for 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide is CC(NS(=O)(=O)C=Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide?
The InChIKey is BTBAJQWHIBRTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-9(11-12-15-16-13-11)14-19(17,18)8-7-10-5-3-2-4-6-10/h2-9,14H,1H3,(H,12,13,15,16).
What are the key properties of 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide?
2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide has a molecular weight of 279.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide is sourced from PubChem (CID 78977229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).