4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene

C8H10BrFN2O2S — CID 884833

IUPAC4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene
SMILESCN(C)S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2S/c1-12(2)15(13,14)11-8-4-3-6(9)5-7(8)10/h3-5,11H,1-2H3
InChIKeyDPFVDIWHKCKJLP-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.81
Rot. Bonds3

About 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene

4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene (PubChem CID 884833) has the molecular formula C8H10BrFN2O2S and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene
PubChem CID884833
Molecular FormulaC8H10BrFN2O2S
Molecular Weight297.15 g/mol
Exact Mass295.96
IUPAC Name4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene
SMILESCN(C)S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2S/c1-12(2)15(13,14)11-8-4-3-6(9)5-7(8)10/h3-5,11H,1-2H3
InChIKeyDPFVDIWHKCKJLP-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Bromophenyl)-3,3-dimethyl-1-triazene
CID 81652
4-Bromo-3-fluoroaniline
CID 821848
N-(4-Bromophenyl)methanesulfonamide
CID 706841
4-Bromo-2-fluoroaniline
CID 123050
[(Dimethylamino)sulfonyl](2-fluorophenyl)amine
CID 842582
N-(4-bromophenyl)aminosulfonamide
CID 21449436
N'-(3-bromophenyl)-N,N-dimethylsulfamide
CID 315807
[(2-Bromophenyl)sulfamoyl]dimethylamine
CID 5020191
N-(4-bromophenyl)piperidine-1-sulfonamide
CID 2140092
1-(Dimethylsulfamoylamino)-4-fluorobenzene
CID 842731
N-(2-bromophenyl)pyrrolidine-1-sulfonamide
CID 28785182
N'-(3,5-difluorophenyl)-N,N-dimethylsulfamide
CID 5100363

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene (CID 884833) is 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene is CN(C)S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene?
The InChIKey is DPFVDIWHKCKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2S/c1-12(2)15(13,14)11-8-4-3-6(9)5-7(8)10/h3-5,11H,1-2H3.
What are the key properties of 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene?
4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene has a molecular weight of 297.15 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(dimethylsulfamoylamino)-2-fluorobenzene is sourced from PubChem (CID 884833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).