N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide

C16H16N6O3S — CID 18565844

IUPACN-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H16N6O3S/c1-12(23)18-13-7-9-15(10-8-13)26(24,25)17-11-16-19-20-21-22(16)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,18,23)
InChIKeyZTDFZQKBXQWKHD-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.10
Rot. Bonds6

About N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 18565844) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID18565844
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H16N6O3S/c1-12(23)18-13-7-9-15(10-8-13)26(24,25)17-11-16-19-20-21-22(16)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,18,23)
InChIKeyZTDFZQKBXQWKHD-UHFFFAOYSA-N
XLogP1.10
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 60535540
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
CID 56504121
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
CID 22209486
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide (CID 18565844) is N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is ZTDFZQKBXQWKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-12(23)18-13-7-9-15(10-8-13)26(24,25)17-11-16-19-20-21-22(16)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,18,23).
What are the key properties of N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18565844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).