1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine

C9H10FN3O4S — CID 65244416

IUPAC1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C9H10FN3O4S/c10-8-2-1-7(3-9(8)13(14)15)18(16,17)12-4-6(11)5-12/h1-3,6H,4-5,11H2
InChIKeyUXWKCKXLZNNFLP-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.07
Rot. Bonds3

About 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine

1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine (PubChem CID 65244416) has the molecular formula C9H10FN3O4S and a molecular weight of 275.26 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
PubChem CID65244416
Molecular FormulaC9H10FN3O4S
Molecular Weight275.26 g/mol
Exact Mass275.04
IUPAC Name1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C9H10FN3O4S/c10-8-2-1-7(3-9(8)13(14)15)18(16,17)12-4-6(11)5-12/h1-3,6H,4-5,11H2
InChIKeyUXWKCKXLZNNFLP-UHFFFAOYSA-N
XLogP0.07
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.07
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

(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
(3S)-1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104976522
1-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263959
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680548
1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
CID 82855183
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103357550
(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301816
1-(4-fluoro-3-nitrophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709339
2-[1-(3-fluoro-4-nitrophenyl)sulfonylazetidin-3-yl]acetic acid
CID 82846592
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959764
N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 43596899

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine (CID 65244416) is 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine is NC1CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine?
The InChIKey is UXWKCKXLZNNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O4S/c10-8-2-1-7(3-9(8)13(14)15)18(16,17)12-4-6(11)5-12/h1-3,6H,4-5,11H2.
What are the key properties of 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine?
1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine has a molecular weight of 275.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine is sourced from PubChem (CID 65244416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).