4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide

C13H10BrCl2NO2S — CID 65031150

IUPAC4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CCl)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-5-6-13(11(16)7-10)20(18,19)17-12-4-2-1-3-9(12)8-15/h1-7,17H,8H2
InChIKeyIRQPTNSYTQLEDB-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.64
Rot. Bonds4

About 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide

4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide (PubChem CID 65031150) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
PubChem CID65031150
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC Name4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CCl)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-5-6-13(11(16)7-10)20(18,19)17-12-4-2-1-3-9(12)8-15/h1-7,17H,8H2
InChIKeyIRQPTNSYTQLEDB-UHFFFAOYSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.64
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

4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65030743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide (CID 65031150) is 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1CCl)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide?
The InChIKey is IRQPTNSYTQLEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c14-10-5-6-13(11(16)7-10)20(18,19)17-12-4-2-1-3-9(12)8-15/h1-7,17H,8H2.
What are the key properties of 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide?
4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 65031150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).