2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide

C14H13Cl2NO2S — CID 770759

IUPAC2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-12-6-7-13(16)14(10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyLWUDOHDPVJHTLE-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.51
Rot. Bonds5

About 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide

2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 770759) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID770759
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-12-6-7-13(16)14(10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyLWUDOHDPVJHTLE-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide (CID 770759) is 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is LWUDOHDPVJHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-12-6-7-13(16)14(10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide?
2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 770759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).