4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide

C11H17FN2O2S2 — CID 114248401

IUPAC4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
SMILESCCSCCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H17FN2O2S2/c1-2-17-7-3-6-14-11-5-4-9(8-10(11)12)18(13,15)16/h4-5,8,14H,2-3,6-7H2,1H3,(H2,13,15,16)
InChIKeyQORLJCQSPOTDHV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.03
Rot. Bonds7

About 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide

4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide (PubChem CID 114248401) has the molecular formula C11H17FN2O2S2 and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
PubChem CID114248401
Molecular FormulaC11H17FN2O2S2
Molecular Weight292.40 g/mol
Exact Mass292.07
IUPAC Name4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
SMILESCCSCCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H17FN2O2S2/c1-2-17-7-3-6-14-11-5-4-9(8-10(11)12)18(13,15)16/h4-5,8,14H,2-3,6-7H2,1H3,(H2,13,15,16)
InChIKeyQORLJCQSPOTDHV-UHFFFAOYSA-N
XLogP2.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
CID 83029980
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43745778
3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide (CID 114248401) is 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide is CCSCCCNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide?
The InChIKey is QORLJCQSPOTDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S2/c1-2-17-7-3-6-14-11-5-4-9(8-10(11)12)18(13,15)16/h4-5,8,14H,2-3,6-7H2,1H3,(H2,13,15,16).
What are the key properties of 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide?
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 114248401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).