N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide

C23H21FN2O5S — CID 2226407

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O5S/c1-25(2)32(28,29)18-10-8-17(9-11-18)23(27)26(20-6-4-3-5-19(20)24)14-16-7-12-21-22(13-16)31-15-30-21/h3-13H,14-15H2,1-2H3
InChIKeyPLAYMCKRCNKMAW-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.65
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide (PubChem CID 2226407) has the molecular formula C23H21FN2O5S and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide
PubChem CID2226407
Molecular FormulaC23H21FN2O5S
Molecular Weight456.50 g/mol
Exact Mass456.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O5S/c1-25(2)32(28,29)18-10-8-17(9-11-18)23(27)26(20-6-4-3-5-19(20)24)14-16-7-12-21-22(13-16)31-15-30-21/h3-13H,14-15H2,1-2H3
InChIKeyPLAYMCKRCNKMAW-UHFFFAOYSA-N
XLogP3.65
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 34549500
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 7927529
N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2477773
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18280620
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 110674563
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 33482990
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55438165
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide (CID 2226407) is N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide?
The InChIKey is PLAYMCKRCNKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O5S/c1-25(2)32(28,29)18-10-8-17(9-11-18)23(27)26(20-6-4-3-5-19(20)24)14-16-7-12-21-22(13-16)31-15-30-21/h3-13H,14-15H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide has a molecular weight of 456.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 2226407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).