N-methylsulfonyl-4-naphthalen-2-yloxybenzamide

C18H15NO4S — CID 66767288

IUPACN-methylsulfonyl-4-naphthalen-2-yloxybenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO4S/c1-24(21,22)19-18(20)14-7-9-16(10-8-14)23-17-11-6-13-4-2-3-5-15(13)12-17/h2-12H,1H3,(H,19,20)
InChIKeyWBVODJOAYPHCCD-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.32
Rot. Bonds4

About N-methylsulfonyl-4-naphthalen-2-yloxybenzamide

N-methylsulfonyl-4-naphthalen-2-yloxybenzamide (PubChem CID 66767288) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-methylsulfonyl-4-naphthalen-2-yloxybenzamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-naphthalen-2-yloxybenzamide
PubChem CID66767288
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC NameN-methylsulfonyl-4-naphthalen-2-yloxybenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO4S/c1-24(21,22)19-18(20)14-7-9-16(10-8-14)23-17-11-6-13-4-2-3-5-15(13)12-17/h2-12H,1H3,(H,19,20)
InChIKeyWBVODJOAYPHCCD-UHFFFAOYSA-N
XLogP3.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-naphthalen-2-yloxybenzamide?
The IUPAC name of N-methylsulfonyl-4-naphthalen-2-yloxybenzamide (CID 66767288) is N-methylsulfonyl-4-naphthalen-2-yloxybenzamide.
What is the SMILES notation for N-methylsulfonyl-4-naphthalen-2-yloxybenzamide?
The canonical SMILES for N-methylsulfonyl-4-naphthalen-2-yloxybenzamide is CS(=O)(=O)NC(=O)c1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-methylsulfonyl-4-naphthalen-2-yloxybenzamide?
The InChIKey is WBVODJOAYPHCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-24(21,22)19-18(20)14-7-9-16(10-8-14)23-17-11-6-13-4-2-3-5-15(13)12-17/h2-12H,1H3,(H,19,20).
What are the key properties of N-methylsulfonyl-4-naphthalen-2-yloxybenzamide?
N-methylsulfonyl-4-naphthalen-2-yloxybenzamide has a molecular weight of 341.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-naphthalen-2-yloxybenzamide is sourced from PubChem (CID 66767288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).