2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide

C14H10Br2N2O2S — CID 60707648

IUPAC2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C14H10Br2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,18H
InChIKeySFXDBHTXJBEKRF-UHFFFAOYSA-N
MW430.12 g/mol
LogP3.75
Rot. Bonds4

About 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide

2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide (PubChem CID 60707648) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
PubChem CID60707648
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C14H10Br2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,18H
InChIKeySFXDBHTXJBEKRF-UHFFFAOYSA-N
XLogP3.75
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 106605787
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707601
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
N-[(4-bromophenyl)-cyanomethyl]methanesulfonamide
CID 82124431
N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
CID 3876114
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589
N-[cyano(phenyl)methyl]thiophene-2-sulfonamide
CID 3833145
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 54947098
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide (CID 60707648) is 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide is N#CC(NS(=O)(=O)c1cc(Br)ccc1Br)c1ccccc1.
What is the InChIKey of 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide?
The InChIKey is SFXDBHTXJBEKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,18H.
What are the key properties of 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide?
2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide has a molecular weight of 430.12 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60707648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).