2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide

C16H27FN2O3S — CID 129202028

IUPAC2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide
SMILESCCCCOCCCC(N)(CS(=O)(=O)NC)c1ccccc1F
InChIInChI=1S/C16H27FN2O3S/c1-3-4-11-22-12-7-10-16(18,13-23(20,21)19-2)14-8-5-6-9-15(14)17/h5-6,8-9,19H,3-4,7,10-13,18H2,1-2H3
InChIKeyDAJJLJIDKUHRCZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.13
Rot. Bonds11

About 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide

2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide (PubChem CID 129202028) has the molecular formula C16H27FN2O3S and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide
PubChem CID129202028
Molecular FormulaC16H27FN2O3S
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide
SMILESCCCCOCCCC(N)(CS(=O)(=O)NC)c1ccccc1F
InChIInChI=1S/C16H27FN2O3S/c1-3-4-11-22-12-7-10-16(18,13-23(20,21)19-2)14-8-5-6-9-15(14)17/h5-6,8-9,19H,3-4,7,10-13,18H2,1-2H3
InChIKeyDAJJLJIDKUHRCZ-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.13
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-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
The IUPAC name of 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide (CID 129202028) is 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide.
What is the SMILES notation for 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
The canonical SMILES for 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide is CCCCOCCCC(N)(CS(=O)(=O)NC)c1ccccc1F.
What is the InChIKey of 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
The InChIKey is DAJJLJIDKUHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O3S/c1-3-4-11-22-12-7-10-16(18,13-23(20,21)19-2)14-8-5-6-9-15(14)17/h5-6,8-9,19H,3-4,7,10-13,18H2,1-2H3.
What are the key properties of 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide?
2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide has a molecular weight of 346.47 g/mol, XLogP of 2.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butoxy-2-(2-fluorophenyl)-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 129202028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).