2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide

C11H16FNO6S2 — CID 61047219

IUPAC2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C11H16FNO6S2/c1-20(16,17)9-2-3-10(12)11(8-9)21(18,19)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyZNZVBSBJPBGQGO-UHFFFAOYSA-N
MW341.38 g/mol
LogP-0.80
Rot. Bonds7

About 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide

2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 61047219) has the molecular formula C11H16FNO6S2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide
PubChem CID61047219
Molecular FormulaC11H16FNO6S2
Molecular Weight341.38 g/mol
Exact Mass341.04
IUPAC Name2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C11H16FNO6S2/c1-20(16,17)9-2-3-10(12)11(8-9)21(18,19)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyZNZVBSBJPBGQGO-UHFFFAOYSA-N
XLogP-0.80
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide (CID 61047219) is 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N(CCO)CCO)c1.
What is the InChIKey of 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is ZNZVBSBJPBGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO6S2/c1-20(16,17)9-2-3-10(12)11(8-9)21(18,19)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide?
2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of -0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-bis(2-hydroxyethyl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 61047219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).