N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide

C11H16FNO5S2 — CID 43591361

IUPACN-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H16FNO5S2/c1-3-18-7-6-13-20(16,17)11-8-9(19(2,14)15)4-5-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyIVVLSYKTDBBCNH-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.54
Rot. Bonds7

About N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide

N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide (PubChem CID 43591361) has the molecular formula C11H16FNO5S2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
PubChem CID43591361
Molecular FormulaC11H16FNO5S2
Molecular Weight325.38 g/mol
Exact Mass325.05
IUPAC NameN-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H16FNO5S2/c1-3-18-7-6-13-20(16,17)11-8-9(19(2,14)15)4-5-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyIVVLSYKTDBBCNH-UHFFFAOYSA-N
XLogP0.54
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249
N-ethoxy-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 64973761
2-fluoro-5-methylsulfonyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465537
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
CID 106019464
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 104760016
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
2-fluoro-5-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 106427308
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide (CID 43591361) is N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide is CCOCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
The InChIKey is IVVLSYKTDBBCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO5S2/c1-3-18-7-6-13-20(16,17)11-8-9(19(2,14)15)4-5-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 43591361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).