3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide

C16H25NO3S — CID 55905470

IUPAC3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCOC2CCCCC2C)c1
InChIInChI=1S/C16H25NO3S/c1-13-6-5-8-15(12-13)21(18,19)17-10-11-20-16-9-4-3-7-14(16)2/h5-6,8,12,14,16-17H,3-4,7,9-11H2,1-2H3
InChIKeyAWMSVQVIMZPHKX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.87
Rot. Bonds6

About 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide

3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide (PubChem CID 55905470) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide
PubChem CID55905470
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCOC2CCCCC2C)c1
InChIInChI=1S/C16H25NO3S/c1-13-6-5-8-15(12-13)21(18,19)17-10-11-20-16-9-4-3-7-14(16)2/h5-6,8,12,14,16-17H,3-4,7,9-11H2,1-2H3
InChIKeyAWMSVQVIMZPHKX-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55724392
1-methoxy-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylsulfonyl]benzene
CID 51963657
3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
CID 63870833
N-[2-(2-bromoethoxy)ethyl]-3-methylbenzenesulfonamide
CID 114295997
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
3,5-dimethyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,2-oxazole-4-sulfonamide
CID 51946575
1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide
CID 94500290
2-[2-[(3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456829
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide (CID 55905470) is 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCOC2CCCCC2C)c1.
What is the InChIKey of 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide?
The InChIKey is AWMSVQVIMZPHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13-6-5-8-15(12-13)21(18,19)17-10-11-20-16-9-4-3-7-14(16)2/h5-6,8,12,14,16-17H,3-4,7,9-11H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide?
3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 55905470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).