2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine

C15H15Cl2NO2S — CID 83977293

IUPAC2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c16-12-7-6-11(15(17)9-12)8-14(10-18)21(19,20)13-4-2-1-3-5-13/h1-7,9,14H,8,10,18H2
InChIKeyJVBAGSZDHZHRKH-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.34
Rot. Bonds5

About 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine

2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine (PubChem CID 83977293) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine
PubChem CID83977293
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c16-12-7-6-11(15(17)9-12)8-14(10-18)21(19,20)13-4-2-1-3-5-13/h1-7,9,14H,8,10,18H2
InChIKeyJVBAGSZDHZHRKH-UHFFFAOYSA-N
XLogP3.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine
CID 83977271
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
methyl (2S)-2-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenyl)propanoate
CID 6977133
3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid
CID 88843715
[2-(2,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199352
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
(2R)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-(2,4-dichlorophenyl)propanoic acid
CID 125044995
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine (CID 83977293) is 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine is NCC(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine?
The InChIKey is JVBAGSZDHZHRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c16-12-7-6-11(15(17)9-12)8-14(10-18)21(19,20)13-4-2-1-3-5-13/h1-7,9,14H,8,10,18H2.
What are the key properties of 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine?
2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine has a molecular weight of 344.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 83977293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).