4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide

C9H9BrClF2NO2S — CID 115611951

IUPAC4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClF2NO2S/c1-14(5-9(12)13)17(15,16)8-3-2-6(10)4-7(8)11/h2-4,9H,5H2,1H3
InChIKeyYDKJBXKLRZNOFQ-UHFFFAOYSA-N
MW348.60 g/mol
LogP2.99
Rot. Bonds4

About 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide

4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide (PubChem CID 115611951) has the molecular formula C9H9BrClF2NO2S and a molecular weight of 348.60 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
PubChem CID115611951
Molecular FormulaC9H9BrClF2NO2S
Molecular Weight348.60 g/mol
Exact Mass346.92
IUPAC Name4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClF2NO2S/c1-14(5-9(12)13)17(15,16)8-3-2-6(10)4-7(8)11/h2-4,9H,5H2,1H3
InChIKeyYDKJBXKLRZNOFQ-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide 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-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910949
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 61066587
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105420154
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
4-bromo-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 42955212
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide (CID 115611951) is 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide is CN(CC(F)F)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide?
The InChIKey is YDKJBXKLRZNOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF2NO2S/c1-14(5-9(12)13)17(15,16)8-3-2-6(10)4-7(8)11/h2-4,9H,5H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide has a molecular weight of 348.60 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115611951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).