2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

C17H17N5O3S — CID 86983152

IUPAC2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C17H17N5O3S/c1-11-7-8-15(26(3,24)25)10-16(11)17(23)18-13-5-4-6-14(9-13)22-12(2)19-20-21-22/h4-10H,1-3H3,(H,18,23)
InChIKeyRLIOHBDJZSMKIW-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.93
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (PubChem CID 86983152) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
PubChem CID86983152
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C17H17N5O3S/c1-11-7-8-15(26(3,24)25)10-16(11)17(23)18-13-5-4-6-14(9-13)22-12(2)19-20-21-22/h4-10H,1-3H3,(H,18,23)
InChIKeyRLIOHBDJZSMKIW-UHFFFAOYSA-N
XLogP1.93
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773
2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide
CID 55882840
2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55679296
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55762438
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55677091
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676850
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (CID 86983152) is 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-n2nnnc2C)c1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is RLIOHBDJZSMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-7-8-15(26(3,24)25)10-16(11)17(23)18-13-5-4-6-14(9-13)22-12(2)19-20-21-22/h4-10H,1-3H3,(H,18,23).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 86983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).