ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate

C18H19N5O5S — CID 1204216

IUPACethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1
InChIInChI=1S/C18H19N5O5S/c1-4-28-18(24)12-5-8-14(9-6-12)20-29(25,26)16-11-13(7-10-15(16)27-3)17-19-21-22-23(17)2/h5-11,20H,4H2,1-3H3
InChIKeyYBARWGMKSXZZEK-UHFFFAOYSA-N
MW417.45 g/mol
LogP1.86
Rot. Bonds7

About ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate

ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate (PubChem CID 1204216) has the molecular formula C18H19N5O5S and a molecular weight of 417.45 g/mol. Its IUPAC name is ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate
PubChem CID1204216
Molecular FormulaC18H19N5O5S
Molecular Weight417.45 g/mol
Exact Mass417.11
IUPAC Nameethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1
InChIInChI=1S/C18H19N5O5S/c1-4-28-18(24)12-5-8-14(9-6-12)20-29(25,26)16-11-13(7-10-15(16)27-3)17-19-21-22-23(17)2/h5-11,20H,4H2,1-3H3
InChIKeyYBARWGMKSXZZEK-UHFFFAOYSA-N
XLogP1.86
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
CID 25049417
ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
CID 2236611
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 16619379
(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43004687
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 37045799
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56548086
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CID 26537931

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate (CID 1204216) is ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1.
What is the InChIKey of ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
The InChIKey is YBARWGMKSXZZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S/c1-4-28-18(24)12-5-8-14(9-6-12)20-29(25,26)16-11-13(7-10-15(16)27-3)17-19-21-22-23(17)2/h5-11,20H,4H2,1-3H3.
What are the key properties of ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate has a molecular weight of 417.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 1204216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).