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

C15H23FN2O2S — CID 80628244

IUPAC5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CCC(C)C)C2CC2)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10(2)6-7-18(13-4-5-13)21(19,20)14-9-12(17)8-11(3)15(14)16/h8-10,13H,4-7,17H2,1-3H3
InChIKeyWRFRQJDEQPHGIN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.92
Rot. Bonds6

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

5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 80628244) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID80628244
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CCC(C)C)C2CC2)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10(2)6-7-18(13-4-5-13)21(19,20)14-9-12(17)8-11(3)15(14)16/h8-10,13H,4-7,17H2,1-3H3
InChIKeyWRFRQJDEQPHGIN-UHFFFAOYSA-N
XLogP2.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.92
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-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 80628244) is 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(CCC(C)C)C2CC2)c1F.
What is the InChIKey of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is WRFRQJDEQPHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10(2)6-7-18(13-4-5-13)21(19,20)14-9-12(17)8-11(3)15(14)16/h8-10,13H,4-7,17H2,1-3H3.
What are the key properties of 5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide?
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.92, 6 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-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 80628244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).