N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

C14H17NO3S — CID 18083778

IUPACN-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)13-9-7-12(8-10-13)15-14(16)11-5-3-2-4-6-11/h2-3,7-11H,4-6H2,1H3,(H,15,16)
InChIKeyFRUNYSJTVZENHA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.38
Rot. Bonds3

About N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 18083778) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID18083778
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)13-9-7-12(8-10-13)15-14(16)11-5-3-2-4-6-11/h2-3,7-11H,4-6H2,1H3,(H,15,16)
InChIKeyFRUNYSJTVZENHA-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 ≤ 500279.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 26975857
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
N-(2-chloro-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 42907796
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 17450703
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80549745

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (CID 18083778) is N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is CS(=O)(=O)c1ccc(NC(=O)C2CC=CCC2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FRUNYSJTVZENHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-19(17,18)13-9-7-12(8-10-13)15-14(16)11-5-3-2-4-6-11/h2-3,7-11H,4-6H2,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 279.36 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-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 18083778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).