N-ethyl-N-fluoro-1-phenylmethanesulfonamide

C9H12FNO2S — CID 118574457

IUPACN-ethyl-N-fluoro-1-phenylmethanesulfonamide
SMILESCCN(F)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H12FNO2S/c1-2-11(10)14(12,13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyNUJZCJXCLMMBSS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds4

About N-ethyl-N-fluoro-1-phenylmethanesulfonamide

N-ethyl-N-fluoro-1-phenylmethanesulfonamide (PubChem CID 118574457) has the molecular formula C9H12FNO2S and a molecular weight of 217.27 g/mol. Its IUPAC name is N-ethyl-N-fluoro-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-fluoro-1-phenylmethanesulfonamide
PubChem CID118574457
Molecular FormulaC9H12FNO2S
Molecular Weight217.27 g/mol
Exact Mass217.06
IUPAC NameN-ethyl-N-fluoro-1-phenylmethanesulfonamide
SMILESCCN(F)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H12FNO2S/c1-2-11(10)14(12,13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyNUJZCJXCLMMBSS-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
(N-benzylsulfonylanilino)-ethylmercury
CID 70564903
N-(2-cyanoethyl)-N-ethyl-1-phenylmethanesulfonamide
CID 54992479
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-[benzylsulfonyl(pentyl)amino]sulfanyl-N-pentyl-1-phenylmethanesulfonamide
CID 21404304
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(2-bromoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 80669812

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-fluoro-1-phenylmethanesulfonamide?
The IUPAC name of N-ethyl-N-fluoro-1-phenylmethanesulfonamide (CID 118574457) is N-ethyl-N-fluoro-1-phenylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-fluoro-1-phenylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-fluoro-1-phenylmethanesulfonamide is CCN(F)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-ethyl-N-fluoro-1-phenylmethanesulfonamide?
The InChIKey is NUJZCJXCLMMBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-2-11(10)14(12,13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of N-ethyl-N-fluoro-1-phenylmethanesulfonamide?
N-ethyl-N-fluoro-1-phenylmethanesulfonamide has a molecular weight of 217.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-fluoro-1-phenylmethanesulfonamide is sourced from PubChem (CID 118574457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).