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

C14H21FN2O3S — CID 58421598

IUPACN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide
SMILESCN(C1CCC(Oc2cc(F)ccc2N)CC1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-17(21(2,18)19)11-4-6-12(7-5-11)20-14-9-10(15)3-8-13(14)16/h3,8-9,11-12H,4-7,16H2,1-2H3
InChIKeyGIEPVRJYVGEYOC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.99
Rot. Bonds4

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

N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide (PubChem CID 58421598) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide
PubChem CID58421598
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide
SMILESCN(C1CCC(Oc2cc(F)ccc2N)CC1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-17(21(2,18)19)11-4-6-12(7-5-11)20-14-9-10(15)3-8-13(14)16/h3,8-9,11-12H,4-7,16H2,1-2H3
InChIKeyGIEPVRJYVGEYOC-UHFFFAOYSA-N
XLogP1.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
CID 58421492
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536
4-fluoro-2-(1-methylazepan-4-yl)oxyaniline
CID 117095562
N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
CID 58421710
N-(4-methoxycyclohexyl)-N-methylmethanesulfonamide
CID 58294905
N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide
CID 123859040
2-[[(3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy]-4-fluoroaniline
CID 58421640
2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589686
3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one
CID 117095532
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734174
4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide (CID 58421598) is N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide is CN(C1CCC(Oc2cc(F)ccc2N)CC1)S(C)(=O)=O.
What is the InChIKey of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide?
The InChIKey is GIEPVRJYVGEYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-17(21(2,18)19)11-4-6-12(7-5-11)20-14-9-10(15)3-8-13(14)16/h3,8-9,11-12H,4-7,16H2,1-2H3.
What are the key properties of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide?
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58421598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).