5-bromo-2-cyclopentylsulfonylaniline

C11H14BrNO2S — CID 81185345

IUPAC5-bromo-2-cyclopentylsulfonylaniline
SMILESNc1cc(Br)ccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H14BrNO2S/c12-8-5-6-11(10(13)7-8)16(14,15)9-3-1-2-4-9/h5-7,9H,1-4,13H2
InChIKeyAPBAUEZKYYNWEB-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.75
Rot. Bonds2

About 5-bromo-2-cyclopentylsulfonylaniline

5-bromo-2-cyclopentylsulfonylaniline (PubChem CID 81185345) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 5-bromo-2-cyclopentylsulfonylaniline.

Molecular Properties

Compound Name5-bromo-2-cyclopentylsulfonylaniline
PubChem CID81185345
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name5-bromo-2-cyclopentylsulfonylaniline
SMILESNc1cc(Br)ccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H14BrNO2S/c12-8-5-6-11(10(13)7-8)16(14,15)9-3-1-2-4-9/h5-7,9H,1-4,13H2
InChIKeyAPBAUEZKYYNWEB-UHFFFAOYSA-N
XLogP2.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline
CID 81184103
5-bromo-2-(3-methoxycyclohexyl)sulfonylaniline
CID 81184946
5-bromo-2-(3,4-dimethylcyclohexyl)sulfonylaniline
CID 81184934
5-chloro-2-cycloheptylsulfonylaniline
CID 82935028
5-bromo-2-(cyclopentylsulfonylmethyl)aniline
CID 114382140
4-bromo-2-(3-methylsulfonylcyclohexyl)sulfonylaniline
CID 81201605
N-(2-amino-4-bromophenyl)-N-methylcyclopentanesulfonamide
CID 114088427
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
4-cyclohexylsulfonyl-3-methylaniline
CID 81193220
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 83012991
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopentylsulfonylaniline?
The IUPAC name of 5-bromo-2-cyclopentylsulfonylaniline (CID 81185345) is 5-bromo-2-cyclopentylsulfonylaniline.
What is the SMILES notation for 5-bromo-2-cyclopentylsulfonylaniline?
The canonical SMILES for 5-bromo-2-cyclopentylsulfonylaniline is Nc1cc(Br)ccc1S(=O)(=O)C1CCCC1.
What is the InChIKey of 5-bromo-2-cyclopentylsulfonylaniline?
The InChIKey is APBAUEZKYYNWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-8-5-6-11(10(13)7-8)16(14,15)9-3-1-2-4-9/h5-7,9H,1-4,13H2.
What are the key properties of 5-bromo-2-cyclopentylsulfonylaniline?
5-bromo-2-cyclopentylsulfonylaniline has a molecular weight of 304.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopentylsulfonylaniline is sourced from PubChem (CID 81185345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).