N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide

C13H9Br2Cl2NO2S — CID 107792813

IUPACN-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(CBr)cc1
InChIInChI=1S/C13H9Br2Cl2NO2S/c14-7-8-1-3-9(4-2-8)21(19,20)18-11-6-5-10(15)12(16)13(11)17/h1-6,18H,7H2
InChIKeyCWMDBFUQIFPOHC-UHFFFAOYSA-N
MW474.00 g/mol
LogP5.45
Rot. Bonds4

About N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide

N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide (PubChem CID 107792813) has the molecular formula C13H9Br2Cl2NO2S and a molecular weight of 474.00 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
PubChem CID107792813
Molecular FormulaC13H9Br2Cl2NO2S
Molecular Weight474.00 g/mol
Exact Mass470.81
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(CBr)cc1
InChIInChI=1S/C13H9Br2Cl2NO2S/c14-7-8-1-3-9(4-2-8)21(19,20)18-11-6-5-10(15)12(16)13(11)17/h1-6,18H,7H2
InChIKeyCWMDBFUQIFPOHC-UHFFFAOYSA-N
XLogP5.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
CID 65480204
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
CID 107791874
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245
4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 65481192
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide (CID 107792813) is N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1ccc(CBr)cc1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide?
The InChIKey is CWMDBFUQIFPOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2NO2S/c14-7-8-1-3-9(4-2-8)21(19,20)18-11-6-5-10(15)12(16)13(11)17/h1-6,18H,7H2.
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide?
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide has a molecular weight of 474.00 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide is sourced from PubChem (CID 107792813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).