3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide

C12H15BrClNO2S — CID 106612674

IUPAC3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1
InChIInChI=1S/C12H15BrClNO2S/c1-2-12(6-3-7-12)15-18(16,17)9-4-5-11(14)10(13)8-9/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyXHVMUZYIOXEHEV-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.71
Rot. Bonds4

About 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide

3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide (PubChem CID 106612674) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide
PubChem CID106612674
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1
InChIInChI=1S/C12H15BrClNO2S/c1-2-12(6-3-7-12)15-18(16,17)9-4-5-11(14)10(13)8-9/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyXHVMUZYIOXEHEV-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 115673536
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-bromo-4-chloro-N-ethoxybenzenesulfonamide
CID 106605703
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
3-bromo-4-chloro-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
CID 106546478
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-4-chlorobenzenesulfonamide
CID 106613159
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide (CID 106612674) is 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide is CCC1(NS(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide?
The InChIKey is XHVMUZYIOXEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c1-2-12(6-3-7-12)15-18(16,17)9-4-5-11(14)10(13)8-9/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide?
3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide has a molecular weight of 352.68 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 106612674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).