2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide

C16H15ClN2O5S — CID 6488401

IUPAC2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15ClN2O5S/c1-25(21,22)19(13-6-7-14-15(8-13)24-10-23-14)9-16(20)18-12-4-2-11(17)3-5-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyOQGZTBVBDDSTBL-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.47
Rot. Bonds5

About 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide

2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide (PubChem CID 6488401) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide
PubChem CID6488401
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15ClN2O5S/c1-25(21,22)19(13-6-7-14-15(8-13)24-10-23-14)9-16(20)18-12-4-2-11(17)3-5-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyOQGZTBVBDDSTBL-UHFFFAOYSA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1148607
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126416272
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502730
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1001054
ethyl 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 1289277
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-fluoro-N-methylsulfonylanilino)acetamide
CID 17433498
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2982791
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113156578
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 3931220
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1251736
N-(4-cyanophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide
CID 113156582
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide (CID 6488401) is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide?
The InChIKey is OQGZTBVBDDSTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-25(21,22)19(13-6-7-14-15(8-13)24-10-23-14)9-16(20)18-12-4-2-11(17)3-5-12/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide?
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide has a molecular weight of 382.83 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 6488401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).