2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one

C15H12Cl2O3S — CID 64644275

IUPAC2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2O3S/c1-10(15(18)11-5-3-2-4-6-11)21(19,20)14-9-12(16)7-8-13(14)17/h2-10H,1H3
InChIKeyIPOKLXQDTXSSIO-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.04
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one

2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one (PubChem CID 64644275) has the molecular formula C15H12Cl2O3S and a molecular weight of 343.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
PubChem CID64644275
Molecular FormulaC15H12Cl2O3S
Molecular Weight343.23 g/mol
Exact Mass341.99
IUPAC Name2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2O3S/c1-10(15(18)11-5-3-2-4-6-11)21(19,20)14-9-12(16)7-8-13(14)17/h2-10H,1H3
InChIKeyIPOKLXQDTXSSIO-UHFFFAOYSA-N
XLogP4.04
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
CID 62916858
2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64641558
1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene
CID 134950152
2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608
4-chloro-3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43140948
propan-2-yl 2,5-dichlorobenzenesulfonate
CID 87077321
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
N-[(2R)-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38168403
2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
2-(2-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890896
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
(3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide
CID 4745426

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one (CID 64644275) is 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one?
The InChIKey is IPOKLXQDTXSSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3S/c1-10(15(18)11-5-3-2-4-6-11)21(19,20)14-9-12(16)7-8-13(14)17/h2-10H,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one?
2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one has a molecular weight of 343.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one is sourced from PubChem (CID 64644275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).