methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate

C18H19N5O5S — CID 1316509

IUPACmethyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C18H19N5O5S/c1-4-23-17(19-21-22-23)13-7-10-15(27-2)16(11-13)29(25,26)20-14-8-5-12(6-9-14)18(24)28-3/h5-11,20H,4H2,1-3H3
InChIKeyCMRITFMOJDQQOJ-UHFFFAOYSA-N
MW417.45 g/mol
LogP1.96
Rot. Bonds7

About methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate

methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate (PubChem CID 1316509) has the molecular formula C18H19N5O5S and a molecular weight of 417.45 g/mol. Its IUPAC name is methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate
PubChem CID1316509
Molecular FormulaC18H19N5O5S
Molecular Weight417.45 g/mol
Exact Mass417.11
IUPAC Namemethyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C18H19N5O5S/c1-4-23-17(19-21-22-23)13-7-10-15(27-2)16(11-13)29(25,26)20-14-8-5-12(6-9-14)18(24)28-3/h5-11,20H,4H2,1-3H3
InChIKeyCMRITFMOJDQQOJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate with MolForge

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Related Compounds

Ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate
CID 660389
N-(3,4-dimethylphenyl)-5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 1204212
2-methoxy-N-(4-methoxyphenyl)-5-(1-methyl-1H-tetraazol-5-yl)benzenesulfonamide
CID 1204214
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
N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1316538
ethyl 4-(5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenylsulfonamido)benzoate
CID 979768
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
5-(1-ethyltetrazol-5-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 1911693
Zinc00972696
CID 1204211

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate?
The IUPAC name of methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate (CID 1316509) is methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate?
The InChIKey is CMRITFMOJDQQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S/c1-4-23-17(19-21-22-23)13-7-10-15(27-2)16(11-13)29(25,26)20-14-8-5-12(6-9-14)18(24)28-3/h5-11,20H,4H2,1-3H3.
What are the key properties of methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate?
methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate has a molecular weight of 417.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate is sourced from PubChem (CID 1316509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).