2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide

C11H10Br2N2O2S — CID 61215705

IUPAC2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc(Br)cc2Br)CCC1
InChIInChI=1S/C11H10Br2N2O2S/c12-8-2-3-10(9(13)6-8)18(16,17)15-11(7-14)4-1-5-11/h2-3,6,15H,1,4-5H2
InChIKeyLKGURTYOFQTTGU-UHFFFAOYSA-N
MW394.09 g/mol
LogP2.94
Rot. Bonds3

About 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide

2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide (PubChem CID 61215705) has the molecular formula C11H10Br2N2O2S and a molecular weight of 394.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide
PubChem CID61215705
Molecular FormulaC11H10Br2N2O2S
Molecular Weight394.09 g/mol
Exact Mass391.88
IUPAC Name2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc(Br)cc2Br)CCC1
InChIInChI=1S/C11H10Br2N2O2S/c12-8-2-3-10(9(13)6-8)18(16,17)15-11(7-14)4-1-5-11/h2-3,6,15H,1,4-5H2
InChIKeyLKGURTYOFQTTGU-UHFFFAOYSA-N
XLogP2.94
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
CID 60660791
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
2,5-dichloro-N-(1-cyanocyclopentyl)thiophene-3-sulfonamide
CID 60660889
1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164987
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
CID 55532584
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
CID 75508306
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide (CID 61215705) is 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide is N#CC1(NS(=O)(=O)c2ccc(Br)cc2Br)CCC1.
What is the InChIKey of 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide?
The InChIKey is LKGURTYOFQTTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O2S/c12-8-2-3-10(9(13)6-8)18(16,17)15-11(7-14)4-1-5-11/h2-3,6,15H,1,4-5H2.
What are the key properties of 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide?
2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide has a molecular weight of 394.09 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide is sourced from PubChem (CID 61215705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).