1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene

C12H19BrN2O2S — CID 113271126

IUPAC1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1C(C)Br
InChIInChI=1S/C12H19BrN2O2S/c1-4-15(5-2)18(16,17)14-12-9-7-6-8-11(12)10(3)13/h6-10,14H,4-5H2,1-3H3
InChIKeyAPYPIFACTKOCNI-UHFFFAOYSA-N
MW335.27 g/mol
LogP3.14
Rot. Bonds6

About 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene

1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene (PubChem CID 113271126) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
PubChem CID113271126
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1C(C)Br
InChIInChI=1S/C12H19BrN2O2S/c1-4-15(5-2)18(16,17)14-12-9-7-6-8-11(12)10(3)13/h6-10,14H,4-5H2,1-3H3
InChIKeyAPYPIFACTKOCNI-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-(diethylsulfamoylamino)benzene
CID 28783371
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
1-cyano-2-(diethylsulfamoylamino)benzene
CID 28785032
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
CID 114294158
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
2-(diethylsulfamoylamino)benzenecarbothioamide
CID 28785092
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
N-[2-(1-bromoethyl)phenyl]azepane-1-sulfonamide
CID 114294193
N-[2-(1-bromoethyl)phenyl]cyclohexanesulfonamide
CID 113271120
1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
CID 43508162
N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide
CID 114294218
1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene?
The IUPAC name of 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene (CID 113271126) is 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene.
What is the SMILES notation for 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene?
The canonical SMILES for 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene is CCN(CC)S(=O)(=O)Nc1ccccc1C(C)Br.
What is the InChIKey of 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene?
The InChIKey is APYPIFACTKOCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-4-15(5-2)18(16,17)14-12-9-7-6-8-11(12)10(3)13/h6-10,14H,4-5H2,1-3H3.
What are the key properties of 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene?
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene has a molecular weight of 335.27 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene is sourced from PubChem (CID 113271126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).