N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide

C15H19F2NO2S — CID 141012068

IUPACN-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide
SMILESCC(C)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2S/c1-10(2)12-5-3-4-6-15(12)21(19,20)18-14-8-7-11(16)9-13(14)17/h5,7-10,15,18H,3-4,6H2,1-2H3
InChIKeyOOANODGCCAHLMR-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.84
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide

N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide (PubChem CID 141012068) has the molecular formula C15H19F2NO2S and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide
PubChem CID141012068
Molecular FormulaC15H19F2NO2S
Molecular Weight315.38 g/mol
Exact Mass315.11
IUPAC NameN-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide
SMILESCC(C)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2S/c1-10(2)12-5-3-4-6-15(12)21(19,20)18-14-8-7-11(16)9-13(14)17/h5,7-10,15,18H,3-4,6H2,1-2H3
InChIKeyOOANODGCCAHLMR-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-ethyl-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
CID 142066456
ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
CID 11545031
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
[(1R)-1-(4-nitrophenyl)ethyl] (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
CID 11634422
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994
cis-(1S,2R)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 129421906
ethyl 8-[(2,4-difluorophenyl)sulfamoyl]-2,3-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 16661983
(2S)-N-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444004
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide (CID 141012068) is N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide is CC(C)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide?
The InChIKey is OOANODGCCAHLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2S/c1-10(2)12-5-3-4-6-15(12)21(19,20)18-14-8-7-11(16)9-13(14)17/h5,7-10,15,18H,3-4,6H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide?
N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide has a molecular weight of 315.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-propan-2-ylcyclohex-2-ene-1-sulfonamide is sourced from PubChem (CID 141012068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).