4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

C18H19NO3S — CID 141069790

IUPAC4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H19NO3S/c1-23(21,22)17-10-7-14(8-11-17)18(20)19-16-9-6-13-4-2-3-5-15(13)12-16/h6-12H,2-5H2,1H3,(H,19,20)
InChIKeyZZCWLLNFMBFNHJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.22
Rot. Bonds3

About 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 141069790) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID141069790
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H19NO3S/c1-23(21,22)17-10-7-14(8-11-17)18(20)19-16-9-6-13-4-2-3-5-15(13)12-16/h6-12H,2-5H2,1H3,(H,19,20)
InChIKeyZZCWLLNFMBFNHJ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)phenyl]piperazin-1-yl]benzoic acid
CID 59318101
N-[4-(chloromethyl)phenyl]-4-methylsulfonylbenzamide
CID 114299897
1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide
CID 59606884
N-(2,3-dihydro-1H-inden-5-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31898842
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 141069790) is 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is ZZCWLLNFMBFNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-23(21,22)17-10-7-14(8-11-17)18(20)19-16-9-6-13-4-2-3-5-15(13)12-16/h6-12H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 329.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 141069790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).