1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene

C12H20N2O3S — CID 113100115

IUPAC1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
SMILESCCc1ccc(OCCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-11-5-7-12(8-6-11)17-10-9-13-18(15,16)14(2)3/h5-8,13H,4,9-10H2,1-3H3
InChIKeyUNCZZGZQRNXKTF-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.02
Rot. Bonds7

About 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene

1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene (PubChem CID 113100115) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
PubChem CID113100115
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
SMILESCCc1ccc(OCCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-11-5-7-12(8-6-11)17-10-9-13-18(15,16)14(2)3/h5-8,13H,4,9-10H2,1-3H3
InChIKeyUNCZZGZQRNXKTF-UHFFFAOYSA-N
XLogP1.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.02
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

1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene
CID 87032676
1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene
CID 63238378
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 30366365
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene (CID 113100115) is 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene is CCc1ccc(OCCNS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene?
The InChIKey is UNCZZGZQRNXKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-11-5-7-12(8-6-11)17-10-9-13-18(15,16)14(2)3/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene?
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene has a molecular weight of 272.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene is sourced from PubChem (CID 113100115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).