N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide

C13H16ClF2NO2S — CID 102638748

IUPACN-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1Cl)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H16ClF2NO2S/c1-17(12-5-3-2-4-10(12)14)20(18,19)13-7-6-9(15)8-11(13)16/h6-8,10,12H,2-5H2,1H3
InChIKeyUGMTVVOYCCKNNC-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.14
Rot. Bonds3

About N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide

N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 102638748) has the molecular formula C13H16ClF2NO2S and a molecular weight of 323.79 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID102638748
Molecular FormulaC13H16ClF2NO2S
Molecular Weight323.79 g/mol
Exact Mass323.06
IUPAC NameN-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1Cl)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H16ClF2NO2S/c1-17(12-5-3-2-4-10(12)14)20(18,19)13-7-6-9(15)8-11(13)16/h6-8,10,12H,2-5H2,1H3
InChIKeyUGMTVVOYCCKNNC-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide
CID 102638762
N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 102639278
N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 102638739
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 62010238
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637410
2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 6737319
2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64645052
N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
CID 102638052
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
4-(chloromethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79177446
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 102638748) is N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide is CN(C1CCCCC1Cl)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is UGMTVVOYCCKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO2S/c1-17(12-5-3-2-4-10(12)14)20(18,19)13-7-6-9(15)8-11(13)16/h6-8,10,12H,2-5H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide?
N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 323.79 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 102638748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).