3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide

C13H20FN3O3S — CID 82913717

IUPAC3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
SMILESCN1CCN(CCOc2ccc(S(N)(=O)=O)cc2F)CC1
InChIInChI=1S/C13H20FN3O3S/c1-16-4-6-17(7-5-16)8-9-20-13-3-2-11(10-12(13)14)21(15,18)19/h2-3,10H,4-9H2,1H3,(H2,15,18,19)
InChIKeyQUZOSFOZMVYBAZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.10
Rot. Bonds5

About 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide

3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 82913717) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
PubChem CID82913717
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
SMILESCN1CCN(CCOc2ccc(S(N)(=O)=O)cc2F)CC1
InChIInChI=1S/C13H20FN3O3S/c1-16-4-6-17(7-5-16)8-9-20-13-3-2-11(10-12(13)14)21(15,18)19/h2-3,10H,4-9H2,1H3,(H2,15,18,19)
InChIKeyQUZOSFOZMVYBAZ-UHFFFAOYSA-N
XLogP0.10
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
3-methyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921881
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371020
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
3-bromo-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921916

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide (CID 82913717) is 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide is CN1CCN(CCOc2ccc(S(N)(=O)=O)cc2F)CC1.
What is the InChIKey of 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is QUZOSFOZMVYBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-16-4-6-17(7-5-16)8-9-20-13-3-2-11(10-12(13)14)21(15,18)19/h2-3,10H,4-9H2,1H3,(H2,15,18,19).
What are the key properties of 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide?
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 317.39 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 82913717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).