2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C13H20FN3O2S — CID 63206519

IUPAC2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C13H20FN3O2S/c1-16(9-10-17-7-2-3-8-17)20(18,19)13-11(14)5-4-6-12(13)15/h4-6H,2-3,7-10,15H2,1H3
InChIKeyWEQKKCQQPNQRPH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 63206519) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID63206519
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C13H20FN3O2S/c1-16(9-10-17-7-2-3-8-17)20(18,19)13-11(14)5-4-6-12(13)15/h4-6H,2-3,7-10,15H2,1H3
InChIKeyWEQKKCQQPNQRPH-UHFFFAOYSA-N
XLogP1.12
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 63206519) is 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CN(CCN1CCCC1)S(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is WEQKKCQQPNQRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-16(9-10-17-7-2-3-8-17)20(18,19)13-11(14)5-4-6-12(13)15/h4-6H,2-3,7-10,15H2,1H3.
What are the key properties of 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63206519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).