1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide

C15H24N2O3S — CID 63824243

IUPAC1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H24N2O3S/c16-15-9-5-4-6-13(15)12-21(18,19)17-10-11-20-14-7-2-1-3-8-14/h4-6,9,14,17H,1-3,7-8,10-12,16H2
InChIKeyJGTUDRFAOCICPG-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.04
Rot. Bonds7

About 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide

1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide (PubChem CID 63824243) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
PubChem CID63824243
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H24N2O3S/c16-15-9-5-4-6-13(15)12-21(18,19)17-10-11-20-14-7-2-1-3-8-14/h4-6,9,14,17H,1-3,7-8,10-12,16H2
InChIKeyJGTUDRFAOCICPG-UHFFFAOYSA-N
XLogP2.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
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

1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63823532
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63825304
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
CID 62021688
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide (CID 63824243) is 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide is Nc1ccccc1CS(=O)(=O)NCCOC1CCCCC1.
What is the InChIKey of 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
The InChIKey is JGTUDRFAOCICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c16-15-9-5-4-6-13(15)12-21(18,19)17-10-11-20-14-7-2-1-3-8-14/h4-6,9,14,17H,1-3,7-8,10-12,16H2.
What are the key properties of 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide is sourced from PubChem (CID 63824243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).