4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide

C11H13BrClNO2S — CID 115650717

IUPAC4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO2S/c1-14(9-3-2-4-9)17(15,16)11-6-5-8(12)7-10(11)13/h5-7,9H,2-4H2,1H3
InChIKeyUQWJLMVWNGABNE-UHFFFAOYSA-N
MW338.65 g/mol
LogP3.28
Rot. Bonds3

About 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide

4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide (PubChem CID 115650717) has the molecular formula C11H13BrClNO2S and a molecular weight of 338.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
PubChem CID115650717
Molecular FormulaC11H13BrClNO2S
Molecular Weight338.65 g/mol
Exact Mass336.95
IUPAC Name4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO2S/c1-14(9-3-2-4-9)17(15,16)11-6-5-8(12)7-10(11)13/h5-7,9H,2-4H2,1H3
InChIKeyUQWJLMVWNGABNE-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63420302
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105420154
4-bromo-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 42955212
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide (CID 115650717) is 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide is CN(C1CCC1)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide?
The InChIKey is UQWJLMVWNGABNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2S/c1-14(9-3-2-4-9)17(15,16)11-6-5-8(12)7-10(11)13/h5-7,9H,2-4H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide has a molecular weight of 338.65 g/mol, XLogP of 3.28, 3 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-cyclobutyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 115650717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).