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

C16H15FN6O3S — CID 16799322

IUPACN-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN6O3S/c1-11(24)19-13-4-8-15(9-5-13)27(25,26)18-10-16-20-21-22-23(16)14-6-2-12(17)3-7-14/h2-9,18H,10H2,1H3,(H,19,24)
InChIKeyKMRGKWWSWUBBIR-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.24
Rot. Bonds6

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

N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide (PubChem CID 16799322) has the molecular formula C16H15FN6O3S and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide
PubChem CID16799322
Molecular FormulaC16H15FN6O3S
Molecular Weight390.40 g/mol
Exact Mass390.09
IUPAC NameN-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN6O3S/c1-11(24)19-13-4-8-15(9-5-13)27(25,26)18-10-16-20-21-22-23(16)14-6-2-12(17)3-7-14/h2-9,18H,10H2,1H3,(H,19,24)
InChIKeyKMRGKWWSWUBBIR-UHFFFAOYSA-N
XLogP1.24
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide (CID 16799322) is N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is KMRGKWWSWUBBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3S/c1-11(24)19-13-4-8-15(9-5-13)27(25,26)18-10-16-20-21-22-23(16)14-6-2-12(17)3-7-14/h2-9,18H,10H2,1H3,(H,19,24).
What are the key properties of N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 390.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16799322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).