1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide

C15H18BrNO2S — CID 19070477

IUPAC1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide
SMILESBr.NC(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17NO2S.BrH/c16-15(12-11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKeyBUGIIQYBQJGKTA-UHFFFAOYSA-N
MW356.28 g/mol
LogP2.96
Rot. Bonds5

About 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide

1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide (PubChem CID 19070477) has the molecular formula C15H18BrNO2S and a molecular weight of 356.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide
PubChem CID19070477
Molecular FormulaC15H18BrNO2S
Molecular Weight356.28 g/mol
Exact Mass355.02
IUPAC Name1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide
SMILESBr.NC(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17NO2S.BrH/c16-15(12-11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKeyBUGIIQYBQJGKTA-UHFFFAOYSA-N
XLogP2.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(benzenesulfonyl)-3-phenylpropyl]benzene
CID 174743657
2-(benzenesulfonyl)-4-phenylbutanenitrile
CID 14942023
ethyl 2-(benzenesulfonyl)-4-phenylbutanoate
CID 102448987
[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
CID 10980970
(2S)-4-phenylbutan-2-amine
CID 6994564
1-methylsulfonyl-4-phenylbutan-2-amine
CID 115601043
4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794244
4-methyl-4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794021
2-(benzenesulfonyl)-10-phenyldecanoic acid
CID 23047834
methyl (3R)-2-(benzenesulfonyl)-3-(2-phenylethyl)pent-4-enoate
CID 102238798
methyl 3-amino-3-(benzenesulfonyl)propanoate
CID 174645699
1,4-diphenylbutan-2-amine
CID 60820174

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide?
The IUPAC name of 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide (CID 19070477) is 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide.
What is the SMILES notation for 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide?
The canonical SMILES for 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide is Br.NC(CCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide?
The InChIKey is BUGIIQYBQJGKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S.BrH/c16-15(12-11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H.
What are the key properties of 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide?
1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide has a molecular weight of 356.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide is sourced from PubChem (CID 19070477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).