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

C10H16BrN3O2S — CID 75448728

IUPAC1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene
SMILESCN(C)S(=O)(=O)NCCNc1cccc(Br)c1
InChIInChI=1S/C10H16BrN3O2S/c1-14(2)17(15,16)13-7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeySDDTZANNTVWIOS-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.26
Rot. Bonds6

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

1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene (PubChem CID 75448728) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene
PubChem CID75448728
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC Name1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene
SMILESCN(C)S(=O)(=O)NCCNc1cccc(Br)c1
InChIInChI=1S/C10H16BrN3O2S/c1-14(2)17(15,16)13-7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeySDDTZANNTVWIOS-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
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CID 75483837
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N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
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CID 55197214
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene?
The IUPAC name of 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene (CID 75448728) is 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene.
What is the SMILES notation for 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene?
The canonical SMILES for 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene is CN(C)S(=O)(=O)NCCNc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene?
The InChIKey is SDDTZANNTVWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-14(2)17(15,16)13-7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene?
1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene has a molecular weight of 322.23 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene is sourced from PubChem (CID 75448728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).