N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide

C23H21FN2O6S — CID 17453736

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C23H21FN2O6S/c1-26(13-15-7-10-20-21(11-15)32-14-31-20)23(27)16-8-9-17(24)22(12-16)33(28,29)25-18-5-3-4-6-19(18)30-2/h3-12,25H,13-14H2,1-2H3
InChIKeyXYSGOOAJGLIYDN-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.64
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 17453736) has the molecular formula C23H21FN2O6S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID17453736
Molecular FormulaC23H21FN2O6S
Molecular Weight472.49 g/mol
Exact Mass472.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C23H21FN2O6S/c1-26(13-15-7-10-20-21(11-15)32-14-31-20)23(27)16-8-9-17(24)22(12-16)33(28,29)25-18-5-3-4-6-19(18)30-2/h3-12,25H,13-14H2,1-2H3
InChIKeyXYSGOOAJGLIYDN-UHFFFAOYSA-N
XLogP3.64
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 17447067
3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 26558435
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 32682402
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 17438125
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-cyclopentyl-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164199

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide (CID 17453736) is N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)ccc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is XYSGOOAJGLIYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O6S/c1-26(13-15-7-10-20-21(11-15)32-14-31-20)23(27)16-8-9-17(24)22(12-16)33(28,29)25-18-5-3-4-6-19(18)30-2/h3-12,25H,13-14H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 472.49 g/mol, XLogP of 3.64, 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-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 17453736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).