[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate

C13H16N6O5S — CID 2394467

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H16N6O5S/c1-18(2)25(22,23)11-5-3-10(4-6-11)15-12(20)8-24-13(21)7-19-9-14-16-17-19/h3-6,9H,7-8H2,1-2H3,(H,15,20)
InChIKeyCPKUJBVVPWNMJH-UHFFFAOYSA-N
MW368.38 g/mol
LogP-0.89
Rot. Bonds7

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate (PubChem CID 2394467) has the molecular formula C13H16N6O5S and a molecular weight of 368.38 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
PubChem CID2394467
Molecular FormulaC13H16N6O5S
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H16N6O5S/c1-18(2)25(22,23)11-5-3-10(4-6-11)15-12(20)8-24-13(21)7-19-9-14-16-17-19/h3-6,9H,7-8H2,1-2H3,(H,15,20)
InChIKeyCPKUJBVVPWNMJH-UHFFFAOYSA-N
XLogP-0.89
TPSA136.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2524496
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2483673
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841332
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 55316710
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514566
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603643
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811085

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate (CID 2394467) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate is CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnnn2)cc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The InChIKey is CPKUJBVVPWNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O5S/c1-18(2)25(22,23)11-5-3-10(4-6-11)15-12(20)8-24-13(21)7-19-9-14-16-17-19/h3-6,9H,7-8H2,1-2H3,(H,15,20).
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate has a molecular weight of 368.38 g/mol, XLogP of -0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 2394467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).