2,5-dichloro-N,N-dimethylbenzenesulfonamide

C8H9Cl2NO2S — CID 779173

IUPAC2,5-dichloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-11(2)14(12,13)8-5-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKeyLMCAXMSPFKYAHR-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.24
Rot. Bonds2

About 2,5-dichloro-N,N-dimethylbenzenesulfonamide

2,5-dichloro-N,N-dimethylbenzenesulfonamide (PubChem CID 779173) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2,5-dichloro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N,N-dimethylbenzenesulfonamide
PubChem CID779173
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2,5-dichloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-11(2)14(12,13)8-5-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKeyLMCAXMSPFKYAHR-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.24
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,N-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N,N-dimethylbenzenesulfonamide (CID 779173) is 2,5-dichloro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N,N-dimethylbenzenesulfonamide?
The InChIKey is LMCAXMSPFKYAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-11(2)14(12,13)8-5-6(9)3-4-7(8)10/h3-5H,1-2H3.
What are the key properties of 2,5-dichloro-N,N-dimethylbenzenesulfonamide?
2,5-dichloro-N,N-dimethylbenzenesulfonamide has a molecular weight of 254.14 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 779173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).