N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide

C11H15BrClNO2S — CID 79585550

IUPACN-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H15BrClNO2S/c1-8(6-13)7-17(15,16)14-11-5-10(12)4-3-9(11)2/h3-5,8,14H,6-7H2,1-2H3
InChIKeyKGUMWRUQNXZOIR-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.37
Rot. Bonds5

About N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide

N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide (PubChem CID 79585550) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
PubChem CID79585550
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC NameN-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H15BrClNO2S/c1-8(6-13)7-17(15,16)14-11-5-10(12)4-3-9(11)2/h3-5,8,14H,6-7H2,1-2H3
InChIKeyKGUMWRUQNXZOIR-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide 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

N-(5-bromo-2-cyanophenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 107800429
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpropane-1-sulfonamide
CID 79585941
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 113445957
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
4-[(3-chloro-2-methylpropyl)sulfonylamino]-3-methylbenzoic acid
CID 79586212
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
3-chloro-2-methyl-N-(2-propan-2-ylphenyl)propane-1-sulfonamide
CID 79580372
N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide
CID 55171348

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide (CID 79585550) is N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)CC(C)CCl.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The InChIKey is KGUMWRUQNXZOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-8(6-13)7-17(15,16)14-11-5-10(12)4-3-9(11)2/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide has a molecular weight of 340.67 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).