N-cyclohexyl-4-methylsulfonylbenzamide

C14H19NO3S — CID 2456779

IUPACN-cyclohexyl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-19(17,18)13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyLFAAFZJJSOGRDE-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.15
Rot. Bonds3

About N-cyclohexyl-4-methylsulfonylbenzamide

N-cyclohexyl-4-methylsulfonylbenzamide (PubChem CID 2456779) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclohexyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methylsulfonylbenzamide
PubChem CID2456779
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-cyclohexyl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-19(17,18)13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyLFAAFZJJSOGRDE-UHFFFAOYSA-N
XLogP2.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-4-methylsulfonylbenzamide (CID 2456779) is N-cyclohexyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methylsulfonylbenzamide?
The InChIKey is LFAAFZJJSOGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-19(17,18)13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16).
What are the key properties of N-cyclohexyl-4-methylsulfonylbenzamide?
N-cyclohexyl-4-methylsulfonylbenzamide has a molecular weight of 281.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 2456779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).