4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide

C22H20N2O5S — CID 2207130

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O5S/c1-24(30(26,27)19-5-3-2-4-6-19)18-10-8-17(9-11-18)22(25)23-14-16-7-12-20-21(13-16)29-15-28-20/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyGBUVTZZHGADVOM-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.17
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide (PubChem CID 2207130) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
PubChem CID2207130
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O5S/c1-24(30(26,27)19-5-3-2-4-6-19)18-10-8-17(9-11-18)22(25)23-14-16-7-12-20-21(13-16)29-15-28-20/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyGBUVTZZHGADVOM-UHFFFAOYSA-N
XLogP3.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 742896
Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate
CID 3238214
N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-7-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
CID 57340900
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 4835037
N-(4-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 788810
4-({2-[(2H-1,3-Benzodioxol-5-YL)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-YL}amino)-N,N-diethylbenzene-1-sulfonamide
CID 5308996
N-{4-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]phenyl}acetamide
CID 733023
N-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
CID 20861039
N-(2-aminophenyl)-4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzamide
CID 137659150
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 4850860
methyl 2-[cyclohexyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 649520
1-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-piperidine-4-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 656345

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide (CID 2207130) is 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide is CN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The InChIKey is GBUVTZZHGADVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-24(30(26,27)19-5-3-2-4-6-19)18-10-8-17(9-11-18)22(25)23-14-16-7-12-20-21(13-16)29-15-28-20/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide is sourced from PubChem (CID 2207130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).