5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide

C14H21FN2O2S — CID 80646267

IUPAC5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC(C)C)C2CC2)c1F
InChIInChI=1S/C14H21FN2O2S/c1-9(2)8-17(12-4-5-12)20(18,19)13-7-11(16)6-10(3)14(13)15/h6-7,9,12H,4-5,8,16H2,1-3H3
InChIKeyZETUSLCEWNHEAK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.53
Rot. Bonds5

About 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide

5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 80646267) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID80646267
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC(C)C)C2CC2)c1F
InChIInChI=1S/C14H21FN2O2S/c1-9(2)8-17(12-4-5-12)20(18,19)13-7-11(16)6-10(3)14(13)15/h6-7,9,12H,4-5,8,16H2,1-3H3
InChIKeyZETUSLCEWNHEAK-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 80646267) is 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(CC(C)C)C2CC2)c1F.
What is the InChIKey of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is ZETUSLCEWNHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9(2)8-17(12-4-5-12)20(18,19)13-7-11(16)6-10(3)14(13)15/h6-7,9,12H,4-5,8,16H2,1-3H3.
What are the key properties of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.53, 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-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 80646267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).