2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide

C19H17NO3S — CID 2801945

IUPAC2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1S(=O)c1cccc2cccc(CO)c12
InChIInChI=1S/C19H17NO3S/c1-20-19(22)15-9-2-3-10-16(15)24(23)17-11-5-7-13-6-4-8-14(12-21)18(13)17/h2-11,21H,12H2,1H3,(H,20,22)
InChIKeyWQJZQVKLIPWOFW-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.86
Rot. Bonds4

About 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide

2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide (PubChem CID 2801945) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide.

Molecular Properties

Compound Name2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide
PubChem CID2801945
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1S(=O)c1cccc2cccc(CO)c12
InChIInChI=1S/C19H17NO3S/c1-20-19(22)15-9-2-3-10-16(15)24(23)17-11-5-7-13-6-4-8-14(12-21)18(13)17/h2-11,21H,12H2,1H3,(H,20,22)
InChIKeyWQJZQVKLIPWOFW-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-(Methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
CID 2801918
7-(1-hydroxyethyl)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 10593620
2-({8-[(Methylamino)carbonyl]-1-naphthyl}thio)benzoic acid
CID 2801916
N1-methyl-2-{[2-(hydroxymethyl)phenyl]thio}benzamide
CID 2824943
9-hydroxy-N-methyl-10,10-dioxo-9H-thioxanthene-3-carboxamide
CID 44461309
8-[2-(Methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid
CID 2801939
Methyl 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylate
CID 2801940
8-(benzenesulfinyl)-N-methylnaphthalene-1-carboxamide
CID 2801950
2-(3-Methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzoic acid chloride
CID 2801962
8-(2-Methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)naphthalene-1-carboxylic acid chloride
CID 2801964
8-(2-Methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)naphthalene-1-carboxylic acid
CID 2801965
2-[2-(hydroxymethyl)phenyl]sulfinyl-N-methylbenzamide
CID 2824944

Frequently Asked Questions

What is the IUPAC name of 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide?
The IUPAC name of 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide (CID 2801945) is 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide.
What is the SMILES notation for 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide?
The canonical SMILES for 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide is CNC(=O)c1ccccc1S(=O)c1cccc2cccc(CO)c12.
What is the InChIKey of 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide?
The InChIKey is WQJZQVKLIPWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-20-19(22)15-9-2-3-10-16(15)24(23)17-11-5-7-13-6-4-8-14(12-21)18(13)17/h2-11,21H,12H2,1H3,(H,20,22).
What are the key properties of 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide?
2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl-N-methylbenzamide is sourced from PubChem (CID 2801945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).