N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide

C11H14BrCl2NO2S — CID 104725034

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CC(C)CCl)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-7(5-13)6-18(16,17)15-11-4-10(14)8(2)3-9(11)12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyWUFUUUPAPDFRFJ-UHFFFAOYSA-N
MW375.12 g/mol
LogP4.03
Rot. Bonds5

About N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide (PubChem CID 104725034) has the molecular formula C11H14BrCl2NO2S and a molecular weight of 375.12 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
PubChem CID104725034
Molecular FormulaC11H14BrCl2NO2S
Molecular Weight375.12 g/mol
Exact Mass372.93
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CC(C)CCl)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-7(5-13)6-18(16,17)15-11-4-10(14)8(2)3-9(11)12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyWUFUUUPAPDFRFJ-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.12
LogP ≤ 54.03
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

3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 113445957
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride
CID 82756936
N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
CID 104724279
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]propanoic acid
CID 113445366
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
CID 104727985
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide (CID 104725034) is N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)CC(C)CCl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The InChIKey is WUFUUUPAPDFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S/c1-7(5-13)6-18(16,17)15-11-4-10(14)8(2)3-9(11)12/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide has a molecular weight of 375.12 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 104725034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).