5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride

C11H15BrClNO4S2 — CID 82756936

IUPAC5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride
SMILESCc1cc(NS(=O)(=O)CC(C)C)c(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H15BrClNO4S2/c1-7(2)6-19(15,16)14-10-4-8(3)11(5-9(10)12)20(13,17)18/h4-5,7,14H,6H2,1-3H3
InChIKeyIZYCPENJGBXEDR-UHFFFAOYSA-N
MW404.74 g/mol
LogP3.08
Rot. Bonds5

About 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride

5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride (PubChem CID 82756936) has the molecular formula C11H15BrClNO4S2 and a molecular weight of 404.74 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride
PubChem CID82756936
Molecular FormulaC11H15BrClNO4S2
Molecular Weight404.74 g/mol
Exact Mass402.93
IUPAC Name5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride
SMILESCc1cc(NS(=O)(=O)CC(C)C)c(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H15BrClNO4S2/c1-7(2)6-19(15,16)14-10-4-8(3)11(5-9(10)12)20(13,17)18/h4-5,7,14H,6H2,1-3H3
InChIKeyIZYCPENJGBXEDR-UHFFFAOYSA-N
XLogP3.08
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 82757797
5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride
CID 82757619
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 81273468
5-bromo-2-methyl-4-(2-methylpentanoylamino)benzenesulfonyl chloride
CID 82757618
5-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
CID 82757191
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide
CID 103907877
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
5-bromo-2-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 82757275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride (CID 82756936) is 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride is Cc1cc(NS(=O)(=O)CC(C)C)c(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is IZYCPENJGBXEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO4S2/c1-7(2)6-19(15,16)14-10-4-8(3)11(5-9(10)12)20(13,17)18/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride?
5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 404.74 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-(2-methylpropylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 82756936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).