N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide

C14H8BrN3O2S — CID 82694174

IUPACN-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C#N)cc1
InChIInChI=1S/C14H8BrN3O2S/c15-12-3-6-14(11(7-12)9-17)18-21(19,20)13-4-1-10(8-16)2-5-13/h1-7,18H
InChIKeyOXZYJLVTFLBHED-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.99
Rot. Bonds3

About N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide

N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide (PubChem CID 82694174) has the molecular formula C14H8BrN3O2S and a molecular weight of 362.21 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
PubChem CID82694174
Molecular FormulaC14H8BrN3O2S
Molecular Weight362.21 g/mol
Exact Mass360.95
IUPAC NameN-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C#N)cc1
InChIInChI=1S/C14H8BrN3O2S/c15-12-3-6-14(11(7-12)9-17)18-21(19,20)13-4-1-10(8-16)2-5-13/h1-7,18H
InChIKeyOXZYJLVTFLBHED-UHFFFAOYSA-N
XLogP2.99
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
5-bromo-2-(tert-butylsulfamoylamino)benzonitrile
CID 114808012
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide (CID 82694174) is N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C#N)cc1.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide?
The InChIKey is OXZYJLVTFLBHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O2S/c15-12-3-6-14(11(7-12)9-17)18-21(19,20)13-4-1-10(8-16)2-5-13/h1-7,18H.
What are the key properties of N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide?
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide has a molecular weight of 362.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 82694174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).