2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide

C16H17Cl2NO2S — CID 622382

IUPAC2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-16(2,11-12-6-4-3-5-7-12)19-22(20,21)15-10-13(17)8-9-14(15)18/h3-10,19H,11H2,1-2H3
InChIKeyLZDLVHPXNRYNNC-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.29
Rot. Bonds5

About 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide

2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 622382) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide
PubChem CID622382
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-16(2,11-12-6-4-3-5-7-12)19-22(20,21)15-10-13(17)8-9-14(15)18/h3-10,19H,11H2,1-2H3
InChIKeyLZDLVHPXNRYNNC-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.29
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-methyl-1-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide (CID 622382) is 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide is CC(C)(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is LZDLVHPXNRYNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-16(2,11-12-6-4-3-5-7-12)19-22(20,21)15-10-13(17)8-9-14(15)18/h3-10,19H,11H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide?
2,5-dichloro-N-(2-methyl-1-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.29, 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-methyl-1-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 622382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).