N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide

C15H16FNO4S2 — CID 55873109

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc(F)cc3c2OCOC3)s1
InChIInChI=1S/C15H16FNO4S2/c1-10-2-3-14(22-10)23(18,19)17-5-4-11-6-13(16)7-12-8-20-9-21-15(11)12/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyYITJMJLQCKBMIS-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 55873109) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID55873109
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc(F)cc3c2OCOC3)s1
InChIInChI=1S/C15H16FNO4S2/c1-10-2-3-14(22-10)23(18,19)17-5-4-11-6-13(16)7-12-8-20-9-21-15(11)12/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyYITJMJLQCKBMIS-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine
CID 47062226
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 55841751
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110317199
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55666093
8-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-6-fluoro-4H-1,3-benzodioxine
CID 97080033
5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113096502
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110416011
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55841613
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110321138

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 55873109) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2cc(F)cc3c2OCOC3)s1.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is YITJMJLQCKBMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c1-10-2-3-14(22-10)23(18,19)17-5-4-11-6-13(16)7-12-8-20-9-21-15(11)12/h2-3,6-7,17H,4-5,8-9H2,1H3.
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 55873109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).