1-bromo-2-(dimethylsulfamoylamino)benzene

C8H11BrN2O2S — CID 5020191

IUPAC1-bromo-2-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3
InChIKeyUCJZXZTXNXADJL-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.67
Rot. Bonds3

About 1-bromo-2-(dimethylsulfamoylamino)benzene

1-bromo-2-(dimethylsulfamoylamino)benzene (PubChem CID 5020191) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-bromo-2-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-bromo-2-(dimethylsulfamoylamino)benzene
PubChem CID5020191
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name1-bromo-2-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3
InChIKeyUCJZXZTXNXADJL-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-bromo-2-(dimethylsulfamoylamino)benzene (CID 5020191) is 1-bromo-2-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-bromo-2-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-bromo-2-(dimethylsulfamoylamino)benzene is CN(C)S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(dimethylsulfamoylamino)benzene?
The InChIKey is UCJZXZTXNXADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3.
What are the key properties of 1-bromo-2-(dimethylsulfamoylamino)benzene?
1-bromo-2-(dimethylsulfamoylamino)benzene has a molecular weight of 279.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 5020191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).