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

C16H19NO3S — CID 30365872

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cc(C)cc(OCCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-13-10-14(2)12-15(11-13)20-9-8-17-21(18,19)16-6-4-3-5-7-16/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyZCUFEIURPPWWLC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.66
Rot. Bonds6

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

N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide (PubChem CID 30365872) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
PubChem CID30365872
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cc(C)cc(OCCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-13-10-14(2)12-15(11-13)20-9-8-17-21(18,19)16-6-4-3-5-7-16/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyZCUFEIURPPWWLC-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.66
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

N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30867149
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
CID 113102513
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 49237977
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide (CID 30365872) is N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide is Cc1cc(C)cc(OCCNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is ZCUFEIURPPWWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-10-14(2)12-15(11-13)20-9-8-17-21(18,19)16-6-4-3-5-7-16/h3-7,10-12,17H,8-9H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide?
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.66, 6 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)ethyl]benzenesulfonamide is sourced from PubChem (CID 30365872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).