2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide

C14H23FN2O3S — CID 70855219

IUPAC2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide
SMILESCCCCOCC(N)(CS(=O)(=O)NC)c1ccccc1F
InChIInChI=1S/C14H23FN2O3S/c1-3-4-9-20-10-14(16,11-21(18,19)17-2)12-7-5-6-8-13(12)15/h5-8,17H,3-4,9-11,16H2,1-2H3
InChIKeyTYRMSWQDZYJRQM-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.35
Rot. Bonds9

About 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide

2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide (PubChem CID 70855219) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide
PubChem CID70855219
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide
SMILESCCCCOCC(N)(CS(=O)(=O)NC)c1ccccc1F
InChIInChI=1S/C14H23FN2O3S/c1-3-4-9-20-10-14(16,11-21(18,19)17-2)12-7-5-6-8-13(12)15/h5-8,17H,3-4,9-11,16H2,1-2H3
InChIKeyTYRMSWQDZYJRQM-UHFFFAOYSA-N
XLogP1.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide (CID 70855219) is 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide is CCCCOCC(N)(CS(=O)(=O)NC)c1ccccc1F.
What is the InChIKey of 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide?
The InChIKey is TYRMSWQDZYJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-3-4-9-20-10-14(16,11-21(18,19)17-2)12-7-5-6-8-13(12)15/h5-8,17H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide?
2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butoxy-2-(2-fluorophenyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 70855219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).