naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate

C19H16O5S — CID 139616983

IUPACnaphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate
SMILESO=C(OCS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(O)cc1
InChIInChI=1S/C19H16O5S/c20-18-9-7-16(8-10-18)19(21)24-13-25(22,23)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,20H,12-13H2
InChIKeyWDNTYKOEBDHGPP-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.27
Rot. Bonds5

About naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate

naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate (PubChem CID 139616983) has the molecular formula C19H16O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate.

Molecular Properties

Compound Namenaphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate
PubChem CID139616983
Molecular FormulaC19H16O5S
Molecular Weight356.40 g/mol
Exact Mass356.07
IUPAC Namenaphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate
SMILESO=C(OCS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(O)cc1
InChIInChI=1S/C19H16O5S/c20-18-9-7-16(8-10-18)19(21)24-13-25(22,23)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,20H,12-13H2
InChIKeyWDNTYKOEBDHGPP-UHFFFAOYSA-N
XLogP3.27
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135971504
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate
CID 10832034
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134
naphthalen-2-ylmethanesulfonyl fluoride
CID 165460618
2-(naphthalen-2-ylmethoxycarbonyl)benzoate
CID 71333612
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
2-phenylethyl 4-hydroxybenzoate
CID 11977778
(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
CID 101418946
(4-nitrophenyl)methyl naphthalene-2-carboxylate
CID 2507538
[formyl(methyl)amino]methyl naphthalene-2-carboxylate
CID 71741120
(7-hydroxynaphthalen-2-yl)methanesulfonic acid
CID 175033542

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate?
The IUPAC name of naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate (CID 139616983) is naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate.
What is the SMILES notation for naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate?
The canonical SMILES for naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate is O=C(OCS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(O)cc1.
What is the InChIKey of naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate?
The InChIKey is WDNTYKOEBDHGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5S/c20-18-9-7-16(8-10-18)19(21)24-13-25(22,23)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,20H,12-13H2.
What are the key properties of naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate?
naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate has a molecular weight of 356.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate is sourced from PubChem (CID 139616983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).