3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide

C11H18FN3O3S — CID 83029980

IUPAC3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
SMILESCOCCNCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H18FN3O3S/c1-18-7-6-14-4-5-15-11-3-2-9(8-10(11)12)19(13,16)17/h2-3,8,14-15H,4-7H2,1H3,(H2,13,16,17)
InChIKeySNSWNNIOTZOCSL-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.12
Rot. Bonds8

About 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide

3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide (PubChem CID 83029980) has the molecular formula C11H18FN3O3S and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
PubChem CID83029980
Molecular FormulaC11H18FN3O3S
Molecular Weight291.35 g/mol
Exact Mass291.11
IUPAC Name3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
SMILESCOCCNCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H18FN3O3S/c1-18-7-6-14-4-5-15-11-3-2-9(8-10(11)12)19(13,16)17/h2-3,8,14-15H,4-7H2,1H3,(H2,13,16,17)
InChIKeySNSWNNIOTZOCSL-UHFFFAOYSA-N
XLogP0.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
CID 79457668
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
CID 114248401
3-N-[2-(2-methoxyethylamino)ethyl]benzene-1,3-disulfonamide
CID 83036725
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide (CID 83029980) is 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide is COCCNCCNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide?
The InChIKey is SNSWNNIOTZOCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O3S/c1-18-7-6-14-4-5-15-11-3-2-9(8-10(11)12)19(13,16)17/h2-3,8,14-15H,4-7H2,1H3,(H2,13,16,17).
What are the key properties of 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide?
3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide has a molecular weight of 291.35 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide is sourced from PubChem (CID 83029980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).