methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate

C18H19NO4S — CID 133235599

IUPACmethyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NO4S/c1-23-18(20)14-8-4-9-15(12-14)24(21,22)19-17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17,19H,5,7,11H2,1H3
InChIKeyVFASBPZSAQAPIZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.83
Rot. Bonds4

About methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate

methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate (PubChem CID 133235599) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
PubChem CID133235599
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namemethyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NO4S/c1-23-18(20)14-8-4-9-15(12-14)24(21,22)19-17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17,19H,5,7,11H2,1H3
InChIKeyVFASBPZSAQAPIZ-UHFFFAOYSA-N
XLogP2.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-(methylsulfamoyl)benzoate
CID 2605704
3-bromo-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43916531
3-bromo-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30325571
methyl 3-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]benzoate
CID 47066852
methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584101
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4779685
3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide
CID 20921810

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate?
The IUPAC name of methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate (CID 133235599) is methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate is COC(=O)c1cccc(S(=O)(=O)NC2CCCc3ccccc32)c1.
What is the InChIKey of methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate?
The InChIKey is VFASBPZSAQAPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-23-18(20)14-8-4-9-15(12-14)24(21,22)19-17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17,19H,5,7,11H2,1H3.
What are the key properties of methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate?
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate has a molecular weight of 345.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate is sourced from PubChem (CID 133235599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).