5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide

C9H9ClN2O2S — CID 20505215

IUPAC5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C9H9ClN2O2S/c1-12(2)15(13,14)9-5-8(10)4-3-7(9)6-11/h3-5H,1-2H3
InChIKeyXLAVHWCGNBFDQB-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.46
Rot. Bonds2

About 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide

5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide (PubChem CID 20505215) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide
PubChem CID20505215
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C9H9ClN2O2S/c1-12(2)15(13,14)9-5-8(10)4-3-7(9)6-11/h3-5H,1-2H3
InChIKeyXLAVHWCGNBFDQB-UHFFFAOYSA-N
XLogP1.46
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide (CID 20505215) is 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide?
The InChIKey is XLAVHWCGNBFDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c1-12(2)15(13,14)9-5-8(10)4-3-7(9)6-11/h3-5H,1-2H3.
What are the key properties of 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide?
5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide has a molecular weight of 244.70 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 20505215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).