N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C22H19FN2O6S — CID 30264821

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O6S/c1-29-16-7-9-17(10-8-16)32(27,28)25(19-5-3-2-4-18(19)23)13-22(26)24-15-6-11-20-21(12-15)31-14-30-20/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyFMXWMOZMBKSVKU-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.40
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 30264821) has the molecular formula C22H19FN2O6S and a molecular weight of 458.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID30264821
Molecular FormulaC22H19FN2O6S
Molecular Weight458.47 g/mol
Exact Mass458.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O6S/c1-29-16-7-9-17(10-8-16)32(27,28)25(19-5-3-2-4-18(19)23)13-22(26)24-15-6-11-20-21(12-15)31-14-30-20/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyFMXWMOZMBKSVKU-UHFFFAOYSA-N
XLogP3.40
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266194
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2176046
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035
N-(4-ethylphenyl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30262115
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43900108
N-[4-(cyanomethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30265378
ethyl 2-chloro-4-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30275557
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1075763
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 30264821) is N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is FMXWMOZMBKSVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O6S/c1-29-16-7-9-17(10-8-16)32(27,28)25(19-5-3-2-4-18(19)23)13-22(26)24-15-6-11-20-21(12-15)31-14-30-20/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 458.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30264821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).