N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide

C17H17N5O3S — CID 74250699

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCC(NC(=O)c1ccccc1-c1nn[nH]n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17N5O3S/c1-11(12-7-9-13(10-8-12)26(2,24)25)18-17(23)15-6-4-3-5-14(15)16-19-21-22-20-16/h3-11H,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyKJQAJMVIXHMYCA-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide

N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide (PubChem CID 74250699) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
PubChem CID74250699
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCC(NC(=O)c1ccccc1-c1nn[nH]n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17N5O3S/c1-11(12-7-9-13(10-8-12)26(2,24)25)18-17(23)15-6-4-3-5-14(15)16-19-21-22-20-16/h3-11H,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyKJQAJMVIXHMYCA-UHFFFAOYSA-N
XLogP1.76
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide (CID 74250699) is N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide is CC(NC(=O)c1ccccc1-c1nn[nH]n1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KJQAJMVIXHMYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11(12-7-9-13(10-8-12)26(2,24)25)18-17(23)15-6-4-3-5-14(15)16-19-21-22-20-16/h3-11H,1-2H3,(H,18,23)(H,19,20,21,22).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 74250699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).