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

C12H18ClFN2O2S — CID 8716582

IUPAC3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H18ClFN2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-12(14)11(13)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyFFVJUTKCMSIIAM-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.10
Rot. Bonds7

About 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide

3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 8716582) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
PubChem CID8716582
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H18ClFN2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-12(14)11(13)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyFFVJUTKCMSIIAM-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

Analyze 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106034867
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide (CID 8716582) is 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is FFVJUTKCMSIIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-12(14)11(13)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[2-(diethylamino)ethyl]-4-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 3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 8716582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).