5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide

C13H19FN2O2S — CID 80645694

IUPAC5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C13H19FN2O2S/c1-3-6-16(11-4-5-11)19(17,18)12-8-10(15)7-9(2)13(12)14/h7-8,11H,3-6,15H2,1-2H3
InChIKeyMIYUXCVYTHHHBE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.28
Rot. Bonds5

About 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide

5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide (PubChem CID 80645694) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide
PubChem CID80645694
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C13H19FN2O2S/c1-3-6-16(11-4-5-11)19(17,18)12-8-10(15)7-9(2)13(12)14/h7-8,11H,3-6,15H2,1-2H3
InChIKeyMIYUXCVYTHHHBE-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 80628244
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
CID 107343147
5-amino-2-fluoro-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 80628140
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 79588511
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
5-amino-2-fluoro-N,3-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 80645767
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 103050502
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-propylbenzenesulfonamide
CID 102920018
5-amino-N,N-bis(2-cyanoethyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628049

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide (CID 80645694) is 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide is CCCN(C1CC1)S(=O)(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
The InChIKey is MIYUXCVYTHHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-3-6-16(11-4-5-11)19(17,18)12-8-10(15)7-9(2)13(12)14/h7-8,11H,3-6,15H2,1-2H3.
What are the key properties of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide?
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 80645694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).