N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide

C21H24N2O5S — CID 55727718

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2O1
InChIInChI=1S/C21H24N2O5S/c1-21(2)27-17-11-10-15(14-18(17)28-21)22-20(24)16-8-4-5-9-19(16)29(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,24)
InChIKeyZLDHHZSNPPBFSV-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.62
Rot. Bonds4

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55727718) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55727718
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2O1
InChIInChI=1S/C21H24N2O5S/c1-21(2)27-17-11-10-15(14-18(17)28-21)22-20(24)16-8-4-5-9-19(16)29(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,24)
InChIKeyZLDHHZSNPPBFSV-UHFFFAOYSA-N
XLogP3.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55333075
2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280447
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
CID 78850471
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
N-dibenzofuran-3-yl-2-morpholin-4-ylsulfonylbenzamide
CID 60553696
2-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 108742963
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 112789663
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 155781281
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
2-bromo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563091

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide (CID 55727718) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide is CC1(C)Oc2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZLDHHZSNPPBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-21(2)27-17-11-10-15(14-18(17)28-21)22-20(24)16-8-4-5-9-19(16)29(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 416.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55727718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).