4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide

C12H18ClFN2O2S — CID 2514551

IUPAC4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O2S/c1-3-16(4-2)8-7-15-19(17,18)12-6-5-10(13)9-11(12)14/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyVLPBXPNLXYJRHU-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.10
Rot. Bonds7

About 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide

4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 2514551) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide
PubChem CID2514551
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O2S/c1-3-16(4-2)8-7-15-19(17,18)12-6-5-10(13)9-11(12)14/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyVLPBXPNLXYJRHU-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide (CID 2514551) is 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is VLPBXPNLXYJRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O2S/c1-3-16(4-2)8-7-15-19(17,18)12-6-5-10(13)9-11(12)14/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide?
4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 308.81 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 2514551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).