4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide

C13H20BrFN2O2S — CID 103190530

IUPAC4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H20BrFN2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)13-7-6-11(14)8-12(13)15/h6-8,10H,5,9H2,1-4H3
InChIKeyYYSNLWLQUYMEFD-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.55
Rot. Bonds6

About 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide

4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 103190530) has the molecular formula C13H20BrFN2O2S and a molecular weight of 367.28 g/mol. Its IUPAC name is 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID103190530
Molecular FormulaC13H20BrFN2O2S
Molecular Weight367.28 g/mol
Exact Mass366.04
IUPAC Name4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H20BrFN2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)13-7-6-11(14)8-12(13)15/h6-8,10H,5,9H2,1-4H3
InChIKeyYYSNLWLQUYMEFD-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-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

2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 116528424
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
4-bromo-2-fluoro-N,N-di(propan-2-yl)benzenesulfonamide
CID 97455770
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921
4-bromo-N-butan-2-yl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 116528510
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
3-[(4-bromo-2-fluorophenyl)sulfonyl-propan-2-ylamino]propanethioamide
CID 116527549
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 103192351
3-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxybutanimidamide
CID 116529743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide (CID 103190530) is 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is YYSNLWLQUYMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)13-7-6-11(14)8-12(13)15/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide?
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 367.28 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103190530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).