2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide

C16H15N5O3S — CID 18565660

IUPAC2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C16H15N5O3S/c1-25(23,24)14-10-6-5-9-13(14)16(22)17-11-15-18-19-20-21(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyAIUWFYRTRNJDGS-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.00
Rot. Bonds5

About 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide

2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide (PubChem CID 18565660) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
PubChem CID18565660
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C16H15N5O3S/c1-25(23,24)14-10-6-5-9-13(14)16(22)17-11-15-18-19-20-21(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyAIUWFYRTRNJDGS-UHFFFAOYSA-N
XLogP1.00
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131901994
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
CID 56504121
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907
N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide
CID 125419395
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide (CID 18565660) is 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide is CS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide?
The InChIKey is AIUWFYRTRNJDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-25(23,24)14-10-6-5-9-13(14)16(22)17-11-15-18-19-20-21(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide?
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide has a molecular weight of 357.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 18565660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).