N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide

C13H21NO3S — CID 113100955

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOc1cccc(C)c1C
InChIInChI=1S/C13H21NO3S/c1-4-10-18(15,16)14-8-9-17-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3
InChIKeyGJYTXZGMQJRHNU-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.01
Rot. Bonds7

About N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide

N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide (PubChem CID 113100955) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
PubChem CID113100955
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOc1cccc(C)c1C
InChIInChI=1S/C13H21NO3S/c1-4-10-18(15,16)14-8-9-17-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3
InChIKeyGJYTXZGMQJRHNU-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.01
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-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide
CID 113100960
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113100959
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100982
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
1-[2-(2,3-dimethylphenoxy)ethyl]-3-pentylurea
CID 112973846
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide
CID 106018382
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide (CID 113100955) is N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCOc1cccc(C)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide?
The InChIKey is GJYTXZGMQJRHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-10-18(15,16)14-8-9-17-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3.
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide?
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 113100955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).