3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide

C13H15BrClNO2S — CID 106174188

IUPAC3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO2S/c14-12-9-11(5-6-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8H2
InChIKeyMBICRDHTVOVHAE-UHFFFAOYSA-N
MW364.69 g/mol
LogP3.88
Rot. Bonds5

About 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide

3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide (PubChem CID 106174188) has the molecular formula C13H15BrClNO2S and a molecular weight of 364.69 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
PubChem CID106174188
Molecular FormulaC13H15BrClNO2S
Molecular Weight364.69 g/mol
Exact Mass362.97
IUPAC Name3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO2S/c14-12-9-11(5-6-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8H2
InChIKeyMBICRDHTVOVHAE-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.69
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
CID 103844649
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
4-bromo-3-[2-(cyclopenten-1-yl)ethylsulfamoyl]benzoic acid
CID 106168036
4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 61113473
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide (CID 106174188) is 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1=CCCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MBICRDHTVOVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2S/c14-12-9-11(5-6-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8H2.
What are the key properties of 3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide?
3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide has a molecular weight of 364.69 g/mol, XLogP of 3.88, 5 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-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106174188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).