N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide

C15H13F2NO4S — CID 110788208

IUPACN-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCc1cc(F)ccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13F2NO4S/c16-11-1-3-13(17)10(7-11)5-6-18-23(19,20)12-2-4-14-15(8-12)22-9-21-14/h1-4,7-8,18H,5-6,9H2
InChIKeyTZMLTIZIODPZIA-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide

N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110788208) has the molecular formula C15H13F2NO4S and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110788208
Molecular FormulaC15H13F2NO4S
Molecular Weight341.34 g/mol
Exact Mass341.05
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCc1cc(F)ccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13F2NO4S/c16-11-1-3-13(17)10(7-11)5-6-18-23(19,20)12-2-4-14-15(8-12)22-9-21-14/h1-4,7-8,18H,5-6,9H2
InChIKeyTZMLTIZIODPZIA-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110788284
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110415763
N-[2-(2,5-dimethylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110787318
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110321136
N-[(3,4-difluorophenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110781069
N-[2-(2-hydroxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110605313
N-[4-(2-chlorophenyl)butyl]-1,3-benzodioxole-5-sulfonamide
CID 110409301
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5-dichlorobenzenesulfonamide
CID 18197812
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 3807874
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide (CID 110788208) is N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NCCc1cc(F)ccc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is TZMLTIZIODPZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4S/c16-11-1-3-13(17)10(7-11)5-6-18-23(19,20)12-2-4-14-15(8-12)22-9-21-14/h1-4,7-8,18H,5-6,9H2.
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 341.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110788208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).