1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene

C10H15BrN2O3S — CID 113099671

IUPAC1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
SMILESCN(C)S(=O)(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-13(2)17(14,15)12-6-7-16-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyIFZCFVTUXIQRSD-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.22
Rot. Bonds6

About 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene

1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene (PubChem CID 113099671) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
PubChem CID113099671
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
SMILESCN(C)S(=O)(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-13(2)17(14,15)12-6-7-16-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyIFZCFVTUXIQRSD-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.22
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-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676
1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene
CID 75448728
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene (CID 113099671) is 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene is CN(C)S(=O)(=O)NCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene?
The InChIKey is IFZCFVTUXIQRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-13(2)17(14,15)12-6-7-16-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene?
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene has a molecular weight of 323.21 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene is sourced from PubChem (CID 113099671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).