N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide

C15H15N5O2S — CID 24793339

IUPACN-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H15N5O2S/c21-23(22,17-11-10-13-4-2-1-3-5-13)15-8-6-14(7-9-15)20-12-16-18-19-20/h1-9,12,17H,10-11H2
InChIKeyCPSBPEHRRAUQGR-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.18
Rot. Bonds6

About N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide

N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 24793339) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID24793339
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC NameN-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H15N5O2S/c21-23(22,17-11-10-13-4-2-1-3-5-13)15-8-6-14(7-9-15)20-12-16-18-19-20/h1-9,12,17H,10-11H2
InChIKeyCPSBPEHRRAUQGR-UHFFFAOYSA-N
XLogP1.18
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide (CID 24793339) is N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is CPSBPEHRRAUQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-23(22,17-11-10-13-4-2-1-3-5-13)15-8-6-14(7-9-15)20-12-16-18-19-20/h1-9,12,17H,10-11H2.
What are the key properties of N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 24793339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).