methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate

C19H17NO4S — CID 9324257

IUPACmethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO4S/c1-24-19(21)16-8-6-14(7-9-16)13-20-25(22,23)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3
InChIKeyORYOUNLJWSXSJK-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.10
Rot. Bonds5

About methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate

methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate (PubChem CID 9324257) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
PubChem CID9324257
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Namemethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO4S/c1-24-19(21)16-8-6-14(7-9-16)13-20-25(22,23)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3
InChIKeyORYOUNLJWSXSJK-UHFFFAOYSA-N
XLogP3.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
methyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 46556509
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
CID 47006128
2-(naphthalen-2-ylsulfonylamino)ethyl benzoate
CID 174429749
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate (CID 9324257) is methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate is COC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate?
The InChIKey is ORYOUNLJWSXSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-24-19(21)16-8-6-14(7-9-16)13-20-25(22,23)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3.
What are the key properties of methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate?
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate has a molecular weight of 355.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate is sourced from PubChem (CID 9324257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).