1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide

C8H8BrCl2NO2S — CID 104727985

IUPAC1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CBr)cc1Cl
InChIInChI=1S/C8H8BrCl2NO2S/c1-5-2-7(11)8(3-6(5)10)12-15(13,14)4-9/h2-3,12H,4H2,1H3
InChIKeyVUMQXSAIYOOZLR-UHFFFAOYSA-N
MW333.03 g/mol
LogP3.40
Rot. Bonds3

About 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide

1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide (PubChem CID 104727985) has the molecular formula C8H8BrCl2NO2S and a molecular weight of 333.03 g/mol. Its IUPAC name is 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
PubChem CID104727985
Molecular FormulaC8H8BrCl2NO2S
Molecular Weight333.03 g/mol
Exact Mass330.88
IUPAC Name1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CBr)cc1Cl
InChIInChI=1S/C8H8BrCl2NO2S/c1-5-2-7(11)8(3-6(5)10)12-15(13,14)4-9/h2-3,12H,4H2,1H3
InChIKeyVUMQXSAIYOOZLR-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.03
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 113445957
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 104725769
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
1-bromo-N-[4-(dimethylamino)-2-methylphenyl]methanesulfonamide
CID 83084774
2,5-dichloro-N-(3-ethylsulfonylpropyl)-4-methylaniline
CID 115969674

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide (CID 104727985) is 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide is Cc1cc(Cl)c(NS(=O)(=O)CBr)cc1Cl.
What is the InChIKey of 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide?
The InChIKey is VUMQXSAIYOOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl2NO2S/c1-5-2-7(11)8(3-6(5)10)12-15(13,14)4-9/h2-3,12H,4H2,1H3.
What are the key properties of 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide?
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide has a molecular weight of 333.03 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 104727985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).