2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide

C19H15Cl2NO2S — CID 100509278

IUPAC2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2NO2S/c1-22(25(23,24)19-13-15(20)11-12-17(19)21)18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyUKITXROCJPVKOR-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.49
Rot. Bonds4

About 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide

2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 100509278) has the molecular formula C19H15Cl2NO2S and a molecular weight of 392.31 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID100509278
Molecular FormulaC19H15Cl2NO2S
Molecular Weight392.31 g/mol
Exact Mass391.02
IUPAC Name2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2NO2S/c1-22(25(23,24)19-13-15(20)11-12-17(19)21)18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyUKITXROCJPVKOR-UHFFFAOYSA-N
XLogP5.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide (CID 100509278) is 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide is CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is UKITXROCJPVKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2S/c1-22(25(23,24)19-13-15(20)11-12-17(19)21)18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide?
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 392.31 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 100509278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).