(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine

C10H12FN3O4S — CID 115301727

IUPAC(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C10H12FN3O4S/c11-9-2-1-8(5-10(9)14(15)16)19(17,18)13-4-3-7(12)6-13/h1-2,5,7H,3-4,6,12H2/t7-/m1/s1
InChIKeyBRPBIFYQJJQRNM-SSDOTTSWSA-N
MW289.29 g/mol
LogP0.46
Rot. Bonds3

About (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine

(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 115301727) has the molecular formula C10H12FN3O4S and a molecular weight of 289.29 g/mol. Its IUPAC name is (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
PubChem CID115301727
Molecular FormulaC10H12FN3O4S
Molecular Weight289.29 g/mol
Exact Mass289.05
IUPAC Name(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C10H12FN3O4S/c11-9-2-1-8(5-10(9)14(15)16)19(17,18)13-4-3-7(12)6-13/h1-2,5,7H,3-4,6,12H2/t7-/m1/s1
InChIKeyBRPBIFYQJJQRNM-SSDOTTSWSA-N
XLogP0.46
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
CID 65244416
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
1-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263959
1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
CID 82855183
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680548
(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301816
(3S)-1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104976522
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959764
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine (CID 115301727) is (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1.
What is the InChIKey of (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is BRPBIFYQJJQRNM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c11-9-2-1-8(5-10(9)14(15)16)19(17,18)13-4-3-7(12)6-13/h1-2,5,7H,3-4,6,12H2/t7-/m1/s1.
What are the key properties of (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine?
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 289.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 115301727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).