2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide

C10H10FNO4S — CID 138558007

IUPAC2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(F)c(S(N)(=O)=O)c2)OC=CO1
InChIInChI=1S/C10H10FNO4S/c1-10(15-4-5-16-10)7-2-3-8(11)9(6-7)17(12,13)14/h2-6H,1H3,(H2,12,13,14)
InChIKeyCQXUVLKWHDTCFY-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.16
Rot. Bonds2

About 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide

2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide (PubChem CID 138558007) has the molecular formula C10H10FNO4S and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide
PubChem CID138558007
Molecular FormulaC10H10FNO4S
Molecular Weight259.26 g/mol
Exact Mass259.03
IUPAC Name2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide
SMILESCC1(c2ccc(F)c(S(N)(=O)=O)c2)OC=CO1
InChIInChI=1S/C10H10FNO4S/c1-10(15-4-5-16-10)7-2-3-8(11)9(6-7)17(12,13)14/h2-6H,1H3,(H2,12,13,14)
InChIKeyCQXUVLKWHDTCFY-UHFFFAOYSA-N
XLogP1.16
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide (CID 138558007) is 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide is CC1(c2ccc(F)c(S(N)(=O)=O)c2)OC=CO1.
What is the InChIKey of 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide?
The InChIKey is CQXUVLKWHDTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4S/c1-10(15-4-5-16-10)7-2-3-8(11)9(6-7)17(12,13)14/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide?
2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide has a molecular weight of 259.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide is sourced from PubChem (CID 138558007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).