N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide

C11H16FNO5S2 — CID 60956685

IUPACN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H16FNO5S2/c1-3-13(6-7-14)20(17,18)11-8-9(19(2,15)16)4-5-10(11)12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyDKBKLPJPBDELNI-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.23
Rot. Bonds6

About N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide

N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 60956685) has the molecular formula C11H16FNO5S2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide
PubChem CID60956685
Molecular FormulaC11H16FNO5S2
Molecular Weight325.38 g/mol
Exact Mass325.05
IUPAC NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H16FNO5S2/c1-3-13(6-7-14)20(17,18)11-8-9(19(2,15)16)4-5-10(11)12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyDKBKLPJPBDELNI-UHFFFAOYSA-N
XLogP0.23
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide (CID 60956685) is N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide is CCN(CCO)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is DKBKLPJPBDELNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO5S2/c1-3-13(6-7-14)20(17,18)11-8-9(19(2,15)16)4-5-10(11)12/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 60956685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).