6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine

C15H24BrNO2S — CID 106807752

IUPAC6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2S/c1-3-11-17-13(4-2)8-7-12-20(18,19)15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyAZIXKYPCAJQMIJ-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.78
Rot. Bonds9

About 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine

6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine (PubChem CID 106807752) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine
PubChem CID106807752
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H24BrNO2S/c1-3-11-17-13(4-2)8-7-12-20(18,19)15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyAZIXKYPCAJQMIJ-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-propylsulfonylbenzene
CID 54596100
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
5-(2-bromophenyl)sulfonylpentan-2-one
CID 64641819
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylhexan-3-amine
CID 106808446
1-(2-bromophenyl)sulfanyl-4-methylsulfonyl-N-propylbutan-2-amine
CID 66143702
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
1-bromo-2-[2-(bromomethyl)pentylsulfonyl]benzene
CID 65014192
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898
6-benzylsulfinyl-N-propylhexan-3-amine
CID 106807937
6-(2-bromophenyl)sulfanyl-N-ethylhexan-3-amine
CID 106808158

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine?
The IUPAC name of 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine (CID 106807752) is 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine?
The canonical SMILES for 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine is CCCNC(CC)CCCS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine?
The InChIKey is AZIXKYPCAJQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-3-11-17-13(4-2)8-7-12-20(18,19)15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine?
6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine has a molecular weight of 362.33 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine is sourced from PubChem (CID 106807752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).