N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide

C16H16N6O3S — CID 25325851

IUPACN-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C16H16N6O3S/c1-17-16(23)11-6-8-14(9-7-11)26(24,25)19-13-5-3-4-12(10-13)15-18-20-21-22(15)2/h3-10,19H,1-2H3,(H,17,23)
InChIKeyZGIAIVGAZAWFOC-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.04
Rot. Bonds5

About N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide

N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide (PubChem CID 25325851) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
PubChem CID25325851
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C16H16N6O3S/c1-17-16(23)11-6-8-14(9-7-11)26(24,25)19-13-5-3-4-12(10-13)15-18-20-21-22(15)2/h3-10,19H,1-2H3,(H,17,23)
InChIKeyZGIAIVGAZAWFOC-UHFFFAOYSA-N
XLogP1.04
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide (CID 25325851) is N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide?
The InChIKey is ZGIAIVGAZAWFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-17-16(23)11-6-8-14(9-7-11)26(24,25)19-13-5-3-4-12(10-13)15-18-20-21-22(15)2/h3-10,19H,1-2H3,(H,17,23).
What are the key properties of N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide?
N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide has a molecular weight of 372.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 25325851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).