2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide

C14H15F2NO3S — CID 75420036

IUPAC2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide
SMILESO=C(CC1=CCCCC1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO3S/c15-12-7-6-11(9-13(12)16)21(19,20)17-14(18)8-10-4-2-1-3-5-10/h4,6-7,9H,1-3,5,8H2,(H,17,18)
InChIKeyYMDCZJDPGVKPGC-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.66
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide

2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide (PubChem CID 75420036) has the molecular formula C14H15F2NO3S and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide
PubChem CID75420036
Molecular FormulaC14H15F2NO3S
Molecular Weight315.34 g/mol
Exact Mass315.07
IUPAC Name2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide
SMILESO=C(CC1=CCCCC1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO3S/c15-12-7-6-11(9-13(12)16)21(19,20)17-14(18)8-10-4-2-1-3-5-10/h4,6-7,9H,1-3,5,8H2,(H,17,18)
InChIKeyYMDCZJDPGVKPGC-UHFFFAOYSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.66
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-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide
CID 71999240
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780
N-(2-chloro-5-sulfamoylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563292
4-[[2-(cyclohexen-1-yl)acetyl]amino]-3-fluorobenzoic acid
CID 63565174
2-(cyclohexen-1-yl)-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]acetamide
CID 71998989
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55361465
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
CID 71982400
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide (CID 75420036) is 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide is O=C(CC1=CCCCC1)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide?
The InChIKey is YMDCZJDPGVKPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3S/c15-12-7-6-11(9-13(12)16)21(19,20)17-14(18)8-10-4-2-1-3-5-10/h4,6-7,9H,1-3,5,8H2,(H,17,18).
What are the key properties of 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide?
2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide has a molecular weight of 315.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide is sourced from PubChem (CID 75420036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).