4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene

C9H10BrN3O2S — CID 107798443

IUPAC4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C9H10BrN3O2S/c1-13(2)16(14,15)12-9-5-8(10)4-3-7(9)6-11/h3-5,12H,1-2H3
InChIKeyRLGSZXGPFQMODL-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.54
Rot. Bonds3

About 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene

4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene (PubChem CID 107798443) has the molecular formula C9H10BrN3O2S and a molecular weight of 304.17 g/mol. Its IUPAC name is 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
PubChem CID107798443
Molecular FormulaC9H10BrN3O2S
Molecular Weight304.17 g/mol
Exact Mass302.97
IUPAC Name4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C9H10BrN3O2S/c1-13(2)16(14,15)12-9-5-8(10)4-3-7(9)6-11/h3-5,12H,1-2H3
InChIKeyRLGSZXGPFQMODL-UHFFFAOYSA-N
XLogP1.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
CID 107798417
4-bromo-2-(methylamino)benzonitrile
CID 24903089
N-(5-bromo-2-cyanophenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 107800429
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
3-[(5-bromo-2-cyanophenyl)sulfamoyl]propanoic acid
CID 114002445
5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
3-[(5-bromo-2-cyanophenyl)carbamoyl-methylamino]propanoic acid
CID 107799746
2-(5-bromo-2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107797925
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene?
The IUPAC name of 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene (CID 107798443) is 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene is CN(C)S(=O)(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene?
The InChIKey is RLGSZXGPFQMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2S/c1-13(2)16(14,15)12-9-5-8(10)4-3-7(9)6-11/h3-5,12H,1-2H3.
What are the key properties of 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene?
4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene has a molecular weight of 304.17 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 107798443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).