3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide

C13H19FN2O2S — CID 63996811

IUPAC3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-10(7-9-3-4-9)16-19(17,18)11-5-6-12(14)13(15)8-11/h5-6,8-10,16H,2-4,7,15H2,1H3
InChIKeyRAKOUJUXDSUKJK-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.26
Rot. Bonds6

About 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide

3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 63996811) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
PubChem CID63996811
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-10(7-9-3-4-9)16-19(17,18)11-5-6-12(14)13(15)8-11/h5-6,8-10,16H,2-4,7,15H2,1H3
InChIKeyRAKOUJUXDSUKJK-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.26
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-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 63996216
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
CID 106063935
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325853
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
ethyl 2-[(3-amino-4-fluorophenyl)sulfonylamino]propanoate
CID 61498116
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
3-amino-N-(1-cyclopropylpropan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791897

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide (CID 63996811) is 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is RAKOUJUXDSUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-10(7-9-3-4-9)16-19(17,18)11-5-6-12(14)13(15)8-11/h5-6,8-10,16H,2-4,7,15H2,1H3.
What are the key properties of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide?
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63996811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).