3-chloro-2,6-diethylbenzenesulfonamide

C10H14ClNO2S — CID 43363655

IUPAC3-chloro-2,6-diethylbenzenesulfonamide
SMILESCCc1ccc(Cl)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C10H14ClNO2S/c1-3-7-5-6-9(11)8(4-2)10(7)15(12,13)14/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyLPEMYTADHSYDPD-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.11
Rot. Bonds3

About 3-chloro-2,6-diethylbenzenesulfonamide

3-chloro-2,6-diethylbenzenesulfonamide (PubChem CID 43363655) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-chloro-2,6-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2,6-diethylbenzenesulfonamide
PubChem CID43363655
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-chloro-2,6-diethylbenzenesulfonamide
SMILESCCc1ccc(Cl)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C10H14ClNO2S/c1-3-7-5-6-9(11)8(4-2)10(7)15(12,13)14/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyLPEMYTADHSYDPD-UHFFFAOYSA-N
XLogP2.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-diethylbenzenesulfonamide?
The IUPAC name of 3-chloro-2,6-diethylbenzenesulfonamide (CID 43363655) is 3-chloro-2,6-diethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-2,6-diethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-2,6-diethylbenzenesulfonamide is CCc1ccc(Cl)c(CC)c1S(N)(=O)=O.
What is the InChIKey of 3-chloro-2,6-diethylbenzenesulfonamide?
The InChIKey is LPEMYTADHSYDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-7-5-6-9(11)8(4-2)10(7)15(12,13)14/h5-6H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-chloro-2,6-diethylbenzenesulfonamide?
3-chloro-2,6-diethylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-diethylbenzenesulfonamide is sourced from PubChem (CID 43363655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).