N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide

C13H19FN2O3S — CID 58421492

IUPACN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Oc2cc(F)ccc2N)CC1
InChIInChI=1S/C13H19FN2O3S/c1-20(17,18)16-10-3-5-11(6-4-10)19-13-8-9(14)2-7-12(13)15/h2,7-8,10-11,16H,3-6,15H2,1H3
InChIKeyBZUWLRCYYOTCIQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.65
Rot. Bonds4

About N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide

N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide (PubChem CID 58421492) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
PubChem CID58421492
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Oc2cc(F)ccc2N)CC1
InChIInChI=1S/C13H19FN2O3S/c1-20(17,18)16-10-3-5-11(6-4-10)19-13-8-9(14)2-7-12(13)15/h2,7-8,10-11,16H,3-6,15H2,1H3
InChIKeyBZUWLRCYYOTCIQ-UHFFFAOYSA-N
XLogP1.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide (CID 58421492) is N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(Oc2cc(F)ccc2N)CC1.
What is the InChIKey of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide?
The InChIKey is BZUWLRCYYOTCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-20(17,18)16-10-3-5-11(6-4-10)19-13-8-9(14)2-7-12(13)15/h2,7-8,10-11,16H,3-6,15H2,1H3.
What are the key properties of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide?
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 58421492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).