2-(3-bromophenyl)sulfonylpentan-3-amine

C11H16BrNO2S — CID 64674046

IUPAC2-(3-bromophenyl)sulfonylpentan-3-amine
SMILESCCC(N)C(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(13)8(2)16(14,15)10-6-4-5-9(12)7-10/h4-8,11H,3,13H2,1-2H3
InChIKeyHVJBLQIAEUEZQY-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.35
Rot. Bonds4

About 2-(3-bromophenyl)sulfonylpentan-3-amine

2-(3-bromophenyl)sulfonylpentan-3-amine (PubChem CID 64674046) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonylpentan-3-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonylpentan-3-amine
PubChem CID64674046
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name2-(3-bromophenyl)sulfonylpentan-3-amine
SMILESCCC(N)C(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(13)8(2)16(14,15)10-6-4-5-9(12)7-10/h4-8,11H,3,13H2,1-2H3
InChIKeyHVJBLQIAEUEZQY-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)sulfonyl-N-propylbutan-2-amine
CID 64673849
2-(3-bromophenyl)sulfonylbutanenitrile
CID 62803557
1-(3-bromophenyl)sulfonylbutan-2-amine
CID 64675037
1-bromo-3-[1-(3-bromophenyl)sulfonylbutylsulfonyl]benzene
CID 118627455
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
1-bromo-3-(difluoromethylsulfonyl)benzene
CID 102538433
3-amino-2-(3-bromophenyl)sulfonylpropanoic acid
CID 64693403
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
3-[(3-bromophenyl)sulfonylamino]pentanethioamide
CID 55101638
lithium 3-bromobenzenesulfonate
CID 139842272
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonylpentan-3-amine?
The IUPAC name of 2-(3-bromophenyl)sulfonylpentan-3-amine (CID 64674046) is 2-(3-bromophenyl)sulfonylpentan-3-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfonylpentan-3-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfonylpentan-3-amine is CCC(N)C(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfonylpentan-3-amine?
The InChIKey is HVJBLQIAEUEZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-11(13)8(2)16(14,15)10-6-4-5-9(12)7-10/h4-8,11H,3,13H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfonylpentan-3-amine?
2-(3-bromophenyl)sulfonylpentan-3-amine has a molecular weight of 306.23 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfonylpentan-3-amine is sourced from PubChem (CID 64674046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).