methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate

C16H23N5O4S — CID 15007300

IUPACmethyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H23N5O4S/c1-11(2)21(12(3)4)26(23,24)14-8-6-13(7-9-14)16-17-18-19-20(16)10-15(22)25-5/h6-9,11-12H,10H2,1-5H3
InChIKeyHYRKUBFBEICDKV-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.32
Rot. Bonds7

About methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate

methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate (PubChem CID 15007300) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate
PubChem CID15007300
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Namemethyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H23N5O4S/c1-11(2)21(12(3)4)26(23,24)14-8-6-13(7-9-14)16-17-18-19-20(16)10-15(22)25-5/h6-9,11-12H,10H2,1-5H3
InChIKeyHYRKUBFBEICDKV-UHFFFAOYSA-N
XLogP1.32
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate (CID 15007300) is methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate is COC(=O)Cn1nnnc1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1.
What is the InChIKey of methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate?
The InChIKey is HYRKUBFBEICDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-11(2)21(12(3)4)26(23,24)14-8-6-13(7-9-14)16-17-18-19-20(16)10-15(22)25-5/h6-9,11-12H,10H2,1-5H3.
What are the key properties of methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate?
methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate has a molecular weight of 381.46 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[4-[di(propan-2-yl)sulfamoyl]phenyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 15007300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).