3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide

C13H21FN2O2S — CID 63841716

IUPAC3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H21FN2O2S/c1-4-10(5-2)9(3)16-19(17,18)11-6-7-12(14)13(15)8-11/h6-10,16H,4-5,15H2,1-3H3
InChIKeyKTWCTHLMENMEKW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds6

About 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide

3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 63841716) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
PubChem CID63841716
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H21FN2O2S/c1-4-10(5-2)9(3)16-19(17,18)11-6-7-12(14)13(15)8-11/h6-10,16H,4-5,15H2,1-3H3
InChIKeyKTWCTHLMENMEKW-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-ethylpentan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791888
ethyl 2-[(3-amino-4-fluorophenyl)sulfonylamino]propanoate
CID 61498116
4-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzenesulfonamide
CID 63837488
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
CID 63836615
2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
CID 63842393
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide (CID 63841716) is 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide is CCC(CC)C(C)NS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is KTWCTHLMENMEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-4-10(5-2)9(3)16-19(17,18)11-6-7-12(14)13(15)8-11/h6-10,16H,4-5,15H2,1-3H3.
What are the key properties of 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63841716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).