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

C15H15Cl2NO2S — CID 83977271

IUPAC2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c16-14-8-4-5-11(15(14)17)9-13(10-18)21(19,20)12-6-2-1-3-7-12/h1-8,13H,9-10,18H2
InChIKeyIAOZLRXPRXXGDV-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.34
Rot. Bonds5

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

2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine (PubChem CID 83977271) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine
PubChem CID83977271
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c16-14-8-4-5-11(15(14)17)9-13(10-18)21(19,20)12-6-2-1-3-7-12/h1-8,13H,9-10,18H2
InChIKeyIAOZLRXPRXXGDV-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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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine (CID 83977271) is 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine is NCC(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine?
The InChIKey is IAOZLRXPRXXGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c16-14-8-4-5-11(15(14)17)9-13(10-18)21(19,20)12-6-2-1-3-7-12/h1-8,13H,9-10,18H2.
What are the key properties of 2-(benzenesulfonyl)-3-(2,3-dichlorophenyl)propan-1-amine?
2-(benzenesulfonyl)-3-(2,3-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-(2,3-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 83977271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).