3-chloro-N,N-diethylbenzenesulfonamide

C10H14ClNO2S — CID 60639724

IUPAC3-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKeyVYJSTFSBUJVKFF-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.37
Rot. Bonds4

About 3-chloro-N,N-diethylbenzenesulfonamide

3-chloro-N,N-diethylbenzenesulfonamide (PubChem CID 60639724) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-chloro-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-diethylbenzenesulfonamide
PubChem CID60639724
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKeyVYJSTFSBUJVKFF-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-chloro-N,N-diethylbenzenesulfonamide (CID 60639724) is 3-chloro-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N,N-diethylbenzenesulfonamide?
The InChIKey is VYJSTFSBUJVKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N,N-diethylbenzenesulfonamide?
3-chloro-N,N-diethylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 60639724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).