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

C20H23N5O5S — CID 660389

IUPACethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1
InChIInChI=1S/C20H23N5O5S/c1-5-30-20(26)14-6-9-16(10-7-14)22-31(27,28)18-12-15(8-11-17(18)29-4)19-21-23-24-25(19)13(2)3/h6-13,22H,5H2,1-4H3
InChIKeyWYZSCJCBXZCLKJ-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.91
Rot. Bonds8

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

ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate (PubChem CID 660389) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate
PubChem CID660389
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC Nameethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1
InChIInChI=1S/C20H23N5O5S/c1-5-30-20(26)14-6-9-16(10-7-14)22-31(27,28)18-12-15(8-11-17(18)29-4)19-21-23-24-25(19)13(2)3/h6-13,22H,5H2,1-4H3
InChIKeyWYZSCJCBXZCLKJ-UHFFFAOYSA-N
XLogP2.91
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 1204212
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 1236748
Butyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate
CID 1907373
5-(1-isopropyl-1H-tetrazol-5-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 1536257
ethyl 4-(5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenylsulfonamido)benzoate
CID 979768
methyl 4-({[5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenyl]sulfonyl}amino)benzoate
CID 1316509
5-(1-ethyl-1H-tetraazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 1204213
ethyl 4-({[2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)phenyl]sulfonyl}amino)benzoate
CID 1204216
Zinc00972696
CID 1204211
4-({[5-(1-Ethyl(1,2,3,4-tetraazol-5-yl))-2-methoxyphenyl]sulfonyl}amino)benzen esulfonamide
CID 2150158
N-(3-acetylphenyl)-5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 1312032
5-(1-ethyl-1H-tetrazol-5-yl)-N-(4-iodophenyl)-2-methoxybenzenesulfonamide
CID 979765

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate (CID 660389) is ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1.
What is the InChIKey of ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
The InChIKey is WYZSCJCBXZCLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-5-30-20(26)14-6-9-16(10-7-14)22-31(27,28)18-12-15(8-11-17(18)29-4)19-21-23-24-25(19)13(2)3/h6-13,22H,5H2,1-4H3.
What are the key properties of ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate?
ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate has a molecular weight of 445.50 g/mol, XLogP of 2.91, 8 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-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 660389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).