2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide

C14H19Br2NO2S — CID 106012519

IUPAC2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO2S/c15-12-7-8-14(13(16)10-12)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2
InChIKeyFEZNFURDWISNFV-UHFFFAOYSA-N
MW425.19 g/mol
LogP4.46
Rot. Bonds6

About 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide

2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide (PubChem CID 106012519) has the molecular formula C14H19Br2NO2S and a molecular weight of 425.19 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
PubChem CID106012519
Molecular FormulaC14H19Br2NO2S
Molecular Weight425.19 g/mol
Exact Mass422.95
IUPAC Name2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO2S/c15-12-7-8-14(13(16)10-12)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2
InChIKeyFEZNFURDWISNFV-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
CID 106006732
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005687
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide (CID 106012519) is 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide is O=S(=O)(NCCCC1CCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide?
The InChIKey is FEZNFURDWISNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2S/c15-12-7-8-14(13(16)10-12)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2.
What are the key properties of 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide?
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide has a molecular weight of 425.19 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide is sourced from PubChem (CID 106012519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).