3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide

C15H15Cl2NO2S — CID 113091765

IUPAC3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c1-15(2,11-6-4-3-5-7-11)18-21(19,20)12-8-9-13(16)14(17)10-12/h3-10,18H,1-2H3
InChIKeyZUGVNCINIVYCNL-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.21
Rot. Bonds4

About 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide

3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 113091765) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID113091765
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S/c1-15(2,11-6-4-3-5-7-11)18-21(19,20)12-8-9-13(16)14(17)10-12/h3-10,18H,1-2H3
InChIKeyZUGVNCINIVYCNL-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide (CID 113091765) is 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is ZUGVNCINIVYCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-15(2,11-6-4-3-5-7-11)18-21(19,20)12-8-9-13(16)14(17)10-12/h3-10,18H,1-2H3.
What are the key properties of 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide?
3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113091765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).