4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide

C13H19FN2O2S — CID 82844706

IUPAC4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-9(2)8-16(10-3-4-10)19(17,18)11-5-6-13(15)12(14)7-11/h5-7,9-10H,3-4,8,15H2,1-2H3
InChIKeyIKNVBCVDJUCJGV-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.22
Rot. Bonds5

About 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 82844706) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID82844706
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-9(2)8-16(10-3-4-10)19(17,18)11-5-6-13(15)12(14)7-11/h5-7,9-10H,3-4,8,15H2,1-2H3
InChIKeyIKNVBCVDJUCJGV-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 82843646
N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 52568483
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82845498
2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491500
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
2-fluoro-4-(4-methylpentylsulfonyl)aniline
CID 83163544
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79187802
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 82844706) is 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is IKNVBCVDJUCJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9(2)8-16(10-3-4-10)19(17,18)11-5-6-13(15)12(14)7-11/h5-7,9-10H,3-4,8,15H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 82844706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).