N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide

C15H21NO3S — CID 2456765

IUPACN-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
SMILESCC1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H21NO3S/c1-11-3-7-13(8-4-11)16-15(17)12-5-9-14(10-6-12)20(2,18)19/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyORMVZDWFBZDCNW-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.40
Rot. Bonds3

About N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide

N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide (PubChem CID 2456765) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
PubChem CID2456765
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
SMILESCC1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H21NO3S/c1-11-3-7-13(8-4-11)16-15(17)12-5-9-14(10-6-12)20(2,18)19/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyORMVZDWFBZDCNW-UHFFFAOYSA-N
XLogP2.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide (CID 2456765) is N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide is CC1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
The InChIKey is ORMVZDWFBZDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-3-7-13(8-4-11)16-15(17)12-5-9-14(10-6-12)20(2,18)19/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide has a molecular weight of 295.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 2456765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).