N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

C15H13FN2O3S — CID 2336130

IUPACN-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CC1
InChIInChI=1S/C15H13FN2O3S/c16-11-5-7-12(8-6-11)22(20,21)17-14-4-2-1-3-13(14)15(19)18-9-10-18/h1-8,17H,9-10H2
InChIKeySRYLXKAJMRNQEW-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 2336130) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID2336130
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC NameN-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CC1
InChIInChI=1S/C15H13FN2O3S/c16-11-5-7-12(8-6-11)22(20,21)17-14-4-2-1-3-13(14)15(19)18-9-10-18/h1-8,17H,9-10H2
InChIKeySRYLXKAJMRNQEW-UHFFFAOYSA-N
XLogP2.08
TPSA66.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55371330
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
4-chloro-N-[2-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 46564162
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 119375343
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553372

Frequently Asked Questions

What is the IUPAC name of N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (CID 2336130) is N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CC1.
What is the InChIKey of N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is SRYLXKAJMRNQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c16-11-5-7-12(8-6-11)22(20,21)17-14-4-2-1-3-13(14)15(19)18-9-10-18/h1-8,17H,9-10H2.
What are the key properties of N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 320.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2336130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).