2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide

C14H13Br2NO2S — CID 114294156

IUPAC2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H13Br2NO2S/c1-10(15)11-6-2-4-8-13(11)17-20(18,19)14-9-5-3-7-12(14)16/h2-10,17H,1H3
InChIKeyVLXVWYJWLGDDCY-UHFFFAOYSA-N
MW419.14 g/mol
LogP4.71
Rot. Bonds4

About 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide

2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide (PubChem CID 114294156) has the molecular formula C14H13Br2NO2S and a molecular weight of 419.14 g/mol. Its IUPAC name is 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
PubChem CID114294156
Molecular FormulaC14H13Br2NO2S
Molecular Weight419.14 g/mol
Exact Mass416.90
IUPAC Name2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H13Br2NO2S/c1-10(15)11-6-2-4-8-13(11)17-20(18,19)14-9-5-3-7-12(14)16/h2-10,17H,1H3
InChIKeyVLXVWYJWLGDDCY-UHFFFAOYSA-N
XLogP4.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide
CID 114294218
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
2-bromo-N-methylbenzenesulfonamide
CID 850141
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide (CID 114294156) is 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide is CC(Br)c1ccccc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide?
The InChIKey is VLXVWYJWLGDDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2S/c1-10(15)11-6-2-4-8-13(11)17-20(18,19)14-9-5-3-7-12(14)16/h2-10,17H,1H3.
What are the key properties of 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide?
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide has a molecular weight of 419.14 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 114294156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).