N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide

C21H21N3O5S — CID 55333075

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C21H21N3O5S/c1-23-20(26)15-10-9-14(13-17(15)21(23)27)22-19(25)16-7-3-4-8-18(16)30(28,29)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,25)
InChIKeySCLPVZKSLYPGTQ-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.34
Rot. Bonds4

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55333075) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55333075
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C21H21N3O5S/c1-23-20(26)15-10-9-14(13-17(15)21(23)27)22-19(25)16-7-3-4-8-18(16)30(28,29)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,25)
InChIKeySCLPVZKSLYPGTQ-UHFFFAOYSA-N
XLogP2.34
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55727718
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide
CID 131960359
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 112789663
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
CID 78850471
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602026

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide (CID 55333075) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide is CN1C(=O)c2ccc(NC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SCLPVZKSLYPGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-23-20(26)15-10-9-14(13-17(15)21(23)27)22-19(25)16-7-3-4-8-18(16)30(28,29)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,25).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 427.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55333075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).