1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide

C13H18FN3O3S — CID 106317548

IUPAC1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2cccc(F)c2N)C1
InChIInChI=1S/C13H18FN3O3S/c1-13(12(18)16-2)6-7-17(8-13)21(19,20)10-5-3-4-9(14)11(10)15/h3-5H,6-8,15H2,1-2H3,(H,16,18)
InChIKeyAHPQJWFBRCVUKT-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317548) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317548
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2cccc(F)c2N)C1
InChIInChI=1S/C13H18FN3O3S/c1-13(12(18)16-2)6-7-17(8-13)21(19,20)10-5-3-4-9(14)11(10)15/h3-5H,6-8,15H2,1-2H3,(H,16,18)
InChIKeyAHPQJWFBRCVUKT-UHFFFAOYSA-N
XLogP0.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
CID 106150904
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-6-fluoroaniline
CID 107452666
1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317535
N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
CID 106321152
1-(2,5-difluorophenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63146157
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607
2-fluoro-6-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 103871431
1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 107343719
2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline
CID 89149310
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63145484
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-6-fluoroaniline
CID 115558804

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317548) is 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(S(=O)(=O)c2cccc(F)c2N)C1.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is AHPQJWFBRCVUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-13(12(18)16-2)6-7-17(8-13)21(19,20)10-5-3-4-9(14)11(10)15/h3-5H,6-8,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).