N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide

C16H16N6O3S — CID 9494536

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H16N6O3S/c1-21(2)26(24,25)15-8-6-13(7-9-15)18-16(23)12-4-3-5-14(10-12)22-11-17-19-20-22/h3-11H,1-2H3,(H,18,23)
InChIKeyCHZXPIUWLNMFER-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.16
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide

N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 9494536) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID9494536
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H16N6O3S/c1-21(2)26(24,25)15-8-6-13(7-9-15)18-16(23)12-4-3-5-14(10-12)22-11-17-19-20-22/h3-11H,1-2H3,(H,18,23)
InChIKeyCHZXPIUWLNMFER-UHFFFAOYSA-N
XLogP1.16
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122296448
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 2553279
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
CID 47068482
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
CID 55982018

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide (CID 9494536) is N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is CHZXPIUWLNMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-21(2)26(24,25)15-8-6-13(7-9-15)18-16(23)12-4-3-5-14(10-12)22-11-17-19-20-22/h3-11H,1-2H3,(H,18,23).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide?
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 372.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 9494536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).