N-(4-methylphenyl)sulfonylcyclohexanecarboxamide

C14H19NO3S — CID 4879102

IUPACN-(4-methylphenyl)sulfonylcyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyZQMVAKBVOJPNML-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.38
Rot. Bonds3

About N-(4-methylphenyl)sulfonylcyclohexanecarboxamide

N-(4-methylphenyl)sulfonylcyclohexanecarboxamide (PubChem CID 4879102) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylcyclohexanecarboxamide
PubChem CID4879102
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(4-methylphenyl)sulfonylcyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyZQMVAKBVOJPNML-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylcyclohexanecarboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonylcyclohexanecarboxamide (CID 4879102) is N-(4-methylphenyl)sulfonylcyclohexanecarboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylcyclohexanecarboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonylcyclohexanecarboxamide is Cc1ccc(S(=O)(=O)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylcyclohexanecarboxamide?
The InChIKey is ZQMVAKBVOJPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16).
What are the key properties of N-(4-methylphenyl)sulfonylcyclohexanecarboxamide?
N-(4-methylphenyl)sulfonylcyclohexanecarboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylcyclohexanecarboxamide is sourced from PubChem (CID 4879102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).