2-fluoroethanamine;N-phenylbenzenesulfonamide

C14H17FN2O2S — CID 175323476

IUPAC2-fluoroethanamine;N-phenylbenzenesulfonamide
SMILESNCCF.O=S(=O)(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11NO2S.C2H6FN/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11;3-1-2-4/h1-10,13H;1-2,4H2
InChIKeyGHADLHOKUWRLGC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds4

About 2-fluoroethanamine;N-phenylbenzenesulfonamide

2-fluoroethanamine;N-phenylbenzenesulfonamide (PubChem CID 175323476) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-fluoroethanamine;N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoroethanamine;N-phenylbenzenesulfonamide
PubChem CID175323476
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name2-fluoroethanamine;N-phenylbenzenesulfonamide
SMILESNCCF.O=S(=O)(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11NO2S.C2H6FN/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11;3-1-2-4/h1-10,13H;1-2,4H2
InChIKeyGHADLHOKUWRLGC-UHFFFAOYSA-N
XLogP2.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide
CID 59230924
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
N,3-diphenylbenzenesulfonamide
CID 54513984
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide
CID 81434906
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanamine;N-phenylbenzenesulfonamide?
The IUPAC name of 2-fluoroethanamine;N-phenylbenzenesulfonamide (CID 175323476) is 2-fluoroethanamine;N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-fluoroethanamine;N-phenylbenzenesulfonamide?
The canonical SMILES for 2-fluoroethanamine;N-phenylbenzenesulfonamide is NCCF.O=S(=O)(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoroethanamine;N-phenylbenzenesulfonamide?
The InChIKey is GHADLHOKUWRLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S.C2H6FN/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11;3-1-2-4/h1-10,13H;1-2,4H2.
What are the key properties of 2-fluoroethanamine;N-phenylbenzenesulfonamide?
2-fluoroethanamine;N-phenylbenzenesulfonamide has a molecular weight of 296.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanamine;N-phenylbenzenesulfonamide is sourced from PubChem (CID 175323476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).