2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide

C13H11Cl2NO2S — CID 767728

IUPAC2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-9-10(14)7-8-12(13)15/h2-9H,1H3
InChIKeyWVYFKGQGPGZCIS-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.82
Rot. Bonds3

About 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide

2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 767728) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
PubChem CID767728
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-9-10(14)7-8-12(13)15/h2-9H,1H3
InChIKeyWVYFKGQGPGZCIS-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.82
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-phenylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide (CID 767728) is 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is WVYFKGQGPGZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-9-10(14)7-8-12(13)15/h2-9H,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide?
2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 316.21 g/mol, XLogP of 3.82, 3 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-phenylbenzenesulfonamide is sourced from PubChem (CID 767728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).