N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide

C13H19FN2O2S — CID 61453724

IUPACN-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C13H19FN2O2S/c14-12-7-6-11(15)8-13(12)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyOJUUOSXJLPRMLL-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.73
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide

N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide (PubChem CID 61453724) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
PubChem CID61453724
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C13H19FN2O2S/c14-12-7-6-11(15)8-13(12)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyOJUUOSXJLPRMLL-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
CID 63119729
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide
CID 107334203
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid
CID 61453916
N-(2-amino-4-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453682
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
2-(cyclopropylmethylsulfonylamino)-6-fluorobenzenecarbothioamide
CID 64988037
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958
N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972028

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide (CID 61453724) is N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide is Nc1ccc(F)c(NS(=O)(=O)CC2CCCCC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is OJUUOSXJLPRMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-12-7-6-11(15)8-13(12)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2.
What are the key properties of N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide?
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 61453724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).