N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide

C20H25NO3S — CID 2912244

IUPACN-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25NO3S/c1-15-12-16(2)14-17(13-15)24-20-11-7-6-10-19(20)21-25(22,23)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-21H,6-7,10-11H2,1-2H3
InChIKeyQBDFKFRHOOJDLB-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide

N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide (PubChem CID 2912244) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
PubChem CID2912244
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H25NO3S/c1-15-12-16(2)14-17(13-15)24-20-11-7-6-10-19(20)21-25(22,23)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-21H,6-7,10-11H2,1-2H3
InChIKeyQBDFKFRHOOJDLB-UHFFFAOYSA-N
XLogP3.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 5142185
2,4,6-Trimethyl-N-(2,2,2-trifluoro-1-phenoxymethylethyl)-benzenesulfonamide
CID 25168896
N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 32354149
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 90656557
N-[1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 145966154
N-[1-[2-(3-tert-butylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 145976946
N-[1-[2-(3-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 145978482
N-[2-(2,5-dimethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 2194885
4-ethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2980145
N-[1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]benzenesulfonamide
CID 145967457
2,4,6-trimethyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 8401563

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide (CID 2912244) is N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide is Cc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
The InChIKey is QBDFKFRHOOJDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15-12-16(2)14-17(13-15)24-20-11-7-6-10-19(20)21-25(22,23)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-21H,6-7,10-11H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2912244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).