5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide

C14H21FN2O3S — CID 63823533

IUPAC5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCCOC2CCCCC2)c1
InChIInChI=1S/C14H21FN2O3S/c15-13-7-6-11(16)10-14(13)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2
InChIKeyPLWKEIPJGHGUCZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.04
Rot. Bonds6

About 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide

5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide (PubChem CID 63823533) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
PubChem CID63823533
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCCOC2CCCCC2)c1
InChIInChI=1S/C14H21FN2O3S/c15-13-7-6-11(16)10-14(13)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2
InChIKeyPLWKEIPJGHGUCZ-UHFFFAOYSA-N
XLogP2.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
CID 65022454
4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63871828
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63823532
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide (CID 63823533) is 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)NCCOC2CCCCC2)c1.
What is the InChIKey of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide?
The InChIKey is PLWKEIPJGHGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c15-13-7-6-11(16)10-14(13)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2.
What are the key properties of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide?
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 63823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).