3-fluoro-4-(propylamino)benzenesulfonamide

C9H13FN2O2S — CID 60713095

IUPAC3-fluoro-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C9H13FN2O2S/c1-2-5-12-9-4-3-7(6-8(9)10)15(11,13)14/h3-4,6,12H,2,5H2,1H3,(H2,11,13,14)
InChIKeyHNTBERGBFJYKFT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.29
Rot. Bonds4

About 3-fluoro-4-(propylamino)benzenesulfonamide

3-fluoro-4-(propylamino)benzenesulfonamide (PubChem CID 60713095) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-fluoro-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(propylamino)benzenesulfonamide
PubChem CID60713095
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name3-fluoro-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C9H13FN2O2S/c1-2-5-12-9-4-3-7(6-8(9)10)15(11,13)14/h3-4,6,12H,2,5H2,1H3,(H2,11,13,14)
InChIKeyHNTBERGBFJYKFT-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
CID 114248401
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
CID 83029980
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
CID 106115793
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
CID 79457668

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(propylamino)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(propylamino)benzenesulfonamide (CID 60713095) is 3-fluoro-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(propylamino)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-(propylamino)benzenesulfonamide?
The InChIKey is HNTBERGBFJYKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-2-5-12-9-4-3-7(6-8(9)10)15(11,13)14/h3-4,6,12H,2,5H2,1H3,(H2,11,13,14).
What are the key properties of 3-fluoro-4-(propylamino)benzenesulfonamide?
3-fluoro-4-(propylamino)benzenesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 60713095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).