[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate

C15H15N5O5S — CID 55730925

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2cccc(-n3cnnn3)c2)o1
InChIInChI=1S/C15H15N5O5S/c1-19(2)26(22,23)14-7-6-13(25-14)9-24-15(21)11-4-3-5-12(8-11)20-10-16-17-18-20/h3-8,10H,9H2,1-2H3
InChIKeyTUXGHEVLVQYXQG-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.86
Rot. Bonds6

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate (PubChem CID 55730925) has the molecular formula C15H15N5O5S and a molecular weight of 377.38 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
PubChem CID55730925
Molecular FormulaC15H15N5O5S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2cccc(-n3cnnn3)c2)o1
InChIInChI=1S/C15H15N5O5S/c1-19(2)26(22,23)14-7-6-13(25-14)9-24-15(21)11-4-3-5-12(8-11)20-10-16-17-18-20/h3-8,10H,9H2,1-2H3
InChIKeyTUXGHEVLVQYXQG-UHFFFAOYSA-N
XLogP0.86
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
CID 55730706
(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194676
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
(4-cyanophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194671
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 30393199
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55514433
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
methyl 5-[[4-(tetrazol-1-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 2570777
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 39939448
(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
CID 9405642
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
CID 55730273

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate (CID 55730925) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate is CN(C)S(=O)(=O)c1ccc(COC(=O)c2cccc(-n3cnnn3)c2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate?
The InChIKey is TUXGHEVLVQYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5S/c1-19(2)26(22,23)14-7-6-13(25-14)9-24-15(21)11-4-3-5-12(8-11)20-10-16-17-18-20/h3-8,10H,9H2,1-2H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate has a molecular weight of 377.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 55730925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).