2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide

C14H10Br2N2O2S — CID 80711667

IUPAC2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cccc(C#N)c2)cc1Br
InChIInChI=1S/C14H10Br2N2O2S/c1-9-5-13(16)14(7-12(9)15)21(19,20)18-11-4-2-3-10(6-11)8-17/h2-7,18H,1H3
InChIKeyUWHATIBQAKFVJL-UHFFFAOYSA-N
MW430.12 g/mol
LogP4.19
Rot. Bonds3

About 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide (PubChem CID 80711667) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
PubChem CID80711667
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cccc(C#N)c2)cc1Br
InChIInChI=1S/C14H10Br2N2O2S/c1-9-5-13(16)14(7-12(9)15)21(19,20)18-11-4-2-3-10(6-11)8-17/h2-7,18H,1H3
InChIKeyUWHATIBQAKFVJL-UHFFFAOYSA-N
XLogP4.19
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
CID 116527479
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
methyl 2-[(3-cyanophenyl)sulfamoyl]-6-methylbenzoate
CID 49186745
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
4-cyano-N-(3-formylphenyl)-2-methylbenzenesulfonamide
CID 106998702
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
2-amino-5-bromo-N-(3-cyanophenyl)pyridine-3-sulfonamide
CID 62145031

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide (CID 80711667) is 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2cccc(C#N)c2)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide?
The InChIKey is UWHATIBQAKFVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c1-9-5-13(16)14(7-12(9)15)21(19,20)18-11-4-2-3-10(6-11)8-17/h2-7,18H,1H3.
What are the key properties of 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide has a molecular weight of 430.12 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 80711667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).