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

C7H6BrN3O2S — CID 67402187

IUPAC4-bromo-2-cyano-1-(sulfamoylamino)benzene
SMILESN#Cc1cc(Br)ccc1NS(N)(=O)=O
InChIInChI=1S/C7H6BrN3O2S/c8-6-1-2-7(5(3-6)4-9)11-14(10,12)13/h1-3,11H,(H2,10,12,13)
InChIKeyLRUJXSRTXOFDCC-UHFFFAOYSA-N
MW276.12 g/mol
LogP0.94
Rot. Bonds2

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

4-bromo-2-cyano-1-(sulfamoylamino)benzene (PubChem CID 67402187) has the molecular formula C7H6BrN3O2S and a molecular weight of 276.12 g/mol. Its IUPAC name is 4-bromo-2-cyano-1-(sulfamoylamino)benzene.

Molecular Properties

Compound Name4-bromo-2-cyano-1-(sulfamoylamino)benzene
PubChem CID67402187
Molecular FormulaC7H6BrN3O2S
Molecular Weight276.12 g/mol
Exact Mass274.94
IUPAC Name4-bromo-2-cyano-1-(sulfamoylamino)benzene
SMILESN#Cc1cc(Br)ccc1NS(N)(=O)=O
InChIInChI=1S/C7H6BrN3O2S/c8-6-1-2-7(5(3-6)4-9)11-14(10,12)13/h1-3,11H,(H2,10,12,13)
InChIKeyLRUJXSRTXOFDCC-UHFFFAOYSA-N
XLogP0.94
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272
5-bromo-2-(tert-butylsulfamoylamino)benzonitrile
CID 114808012
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
5-amino-2-(4-bromo-2-cyanoanilino)benzenesulfonamide
CID 82692015
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-amino-5-(4-bromo-2-cyanoanilino)benzenesulfonamide
CID 82692013
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyano-1-(sulfamoylamino)benzene?
The IUPAC name of 4-bromo-2-cyano-1-(sulfamoylamino)benzene (CID 67402187) is 4-bromo-2-cyano-1-(sulfamoylamino)benzene.
What is the SMILES notation for 4-bromo-2-cyano-1-(sulfamoylamino)benzene?
The canonical SMILES for 4-bromo-2-cyano-1-(sulfamoylamino)benzene is N#Cc1cc(Br)ccc1NS(N)(=O)=O.
What is the InChIKey of 4-bromo-2-cyano-1-(sulfamoylamino)benzene?
The InChIKey is LRUJXSRTXOFDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O2S/c8-6-1-2-7(5(3-6)4-9)11-14(10,12)13/h1-3,11H,(H2,10,12,13).
What are the key properties of 4-bromo-2-cyano-1-(sulfamoylamino)benzene?
4-bromo-2-cyano-1-(sulfamoylamino)benzene has a molecular weight of 276.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyano-1-(sulfamoylamino)benzene is sourced from PubChem (CID 67402187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).