3-(3-bromophenyl)sulfonylpentan-1-amine

C11H16BrNO2S — CID 64698265

IUPAC3-(3-bromophenyl)sulfonylpentan-1-amine
SMILESCCC(CCN)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-2-10(6-7-13)16(14,15)11-5-3-4-9(12)8-11/h3-5,8,10H,2,6-7,13H2,1H3
InChIKeyXOYZQFGHJZVVDH-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.35
Rot. Bonds5

About 3-(3-bromophenyl)sulfonylpentan-1-amine

3-(3-bromophenyl)sulfonylpentan-1-amine (PubChem CID 64698265) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfonylpentan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfonylpentan-1-amine
PubChem CID64698265
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC Name3-(3-bromophenyl)sulfonylpentan-1-amine
SMILESCCC(CCN)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-2-10(6-7-13)16(14,15)11-5-3-4-9(12)8-11/h3-5,8,10H,2,6-7,13H2,1H3
InChIKeyXOYZQFGHJZVVDH-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenyl)sulfonylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfonylpentan-1-amine?
The IUPAC name of 3-(3-bromophenyl)sulfonylpentan-1-amine (CID 64698265) is 3-(3-bromophenyl)sulfonylpentan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfonylpentan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfonylpentan-1-amine is CCC(CCN)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)sulfonylpentan-1-amine?
The InChIKey is XOYZQFGHJZVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-2-10(6-7-13)16(14,15)11-5-3-4-9(12)8-11/h3-5,8,10H,2,6-7,13H2,1H3.
What are the key properties of 3-(3-bromophenyl)sulfonylpentan-1-amine?
3-(3-bromophenyl)sulfonylpentan-1-amine has a molecular weight of 306.22 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfonylpentan-1-amine is sourced from PubChem (CID 64698265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).