2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide

C15H24N2O3S — CID 63825126

IUPAC2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H24N2O3S/c1-12-6-5-9-14(16)15(12)21(18,19)17-10-11-20-13-7-3-2-4-8-13/h5-6,9,13,17H,2-4,7-8,10-11,16H2,1H3
InChIKeyFRYCDJCJVGYOHW-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.20
Rot. Bonds6

About 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide

2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide (PubChem CID 63825126) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
PubChem CID63825126
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H24N2O3S/c1-12-6-5-9-14(16)15(12)21(18,19)17-10-11-20-13-7-3-2-4-8-13/h5-6,9,13,17H,2-4,7-8,10-11,16H2,1H3
InChIKeyFRYCDJCJVGYOHW-UHFFFAOYSA-N
XLogP2.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.20
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

2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63825304
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
CID 115550552
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63824243
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide (CID 63825126) is 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCCOC1CCCCC1.
What is the InChIKey of 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide?
The InChIKey is FRYCDJCJVGYOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-6-5-9-14(16)15(12)21(18,19)17-10-11-20-13-7-3-2-4-8-13/h5-6,9,13,17H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide?
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 63825126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).