4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C18H19NO3S — CID 4879344

IUPAC4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H19NO3S/c1-23(21,22)15-11-9-14(10-12-15)18(20)19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H,19,20)
InChIKeyOLIOMIXHHITNKN-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.90
Rot. Bonds3

About 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 4879344) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID4879344
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H19NO3S/c1-23(21,22)15-11-9-14(10-12-15)18(20)19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H,19,20)
InChIKeyOLIOMIXHHITNKN-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 4879344) is 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CS(=O)(=O)c1ccc(C(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is OLIOMIXHHITNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-23(21,22)15-11-9-14(10-12-15)18(20)19-17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-12,17H,4,6,8H2,1H3,(H,19,20).
What are the key properties of 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 329.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 4879344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).