4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine

C21H25F2NO2S — CID 58344130

IUPAC4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C21H25F2NO2S/c1-2-24-18-8-3-15(4-9-18)14-27(25,26)19-10-5-16(6-11-19)20-12-7-17(22)13-21(20)23/h5-7,10-13,15,18,24H,2-4,8-9,14H2,1H3
InChIKeyVOJRFABWLYDRJN-UHFFFAOYSA-N
MW393.50 g/mol
LogP4.57
Rot. Bonds6

About 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine

4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine (PubChem CID 58344130) has the molecular formula C21H25F2NO2S and a molecular weight of 393.50 g/mol. Its IUPAC name is 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine
PubChem CID58344130
Molecular FormulaC21H25F2NO2S
Molecular Weight393.50 g/mol
Exact Mass393.16
IUPAC Name4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C21H25F2NO2S/c1-2-24-18-8-3-15(4-9-18)14-27(25,26)19-10-5-16(6-11-19)20-12-7-17(22)13-21(20)23/h5-7,10-13,15,18,24H,2-4,8-9,14H2,1H3
InChIKeyVOJRFABWLYDRJN-UHFFFAOYSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 58344134
[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol
CID 58344321
(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
CID 58344310
1-[4-[[(1R)-3-tert-butylcyclopentyl]methylsulfonyl]phenyl]-2,4-difluorobenzene
CID 58344104
4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
CID 45279224
4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine
CID 58344182
4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide
CID 129013622
4-[[4-(4-chloro-2-fluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
CID 58344117
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)cyclopentyl]benzenesulfonamide;ethane;methyl 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylate
CID 143959249

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine (CID 58344130) is 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine is CCNC1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine?
The InChIKey is VOJRFABWLYDRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO2S/c1-2-24-18-8-3-15(4-9-18)14-27(25,26)19-10-5-16(6-11-19)20-12-7-17(22)13-21(20)23/h5-7,10-13,15,18,24H,2-4,8-9,14H2,1H3.
What are the key properties of 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine?
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine has a molecular weight of 393.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 58344130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).