4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide

C20H20BrN3O5S — CID 55706130

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)ccc1Br
InChIInChI=1S/C20H20BrN3O5S/c1-23(2)30(28,29)17-12-13(6-11-16(17)21)20(27)22-14-7-9-15(10-8-14)24-18(25)4-3-5-19(24)26/h6-12H,3-5H2,1-2H3,(H,22,27)
InChIKeyPEDDAXFGMSZAEB-UHFFFAOYSA-N
MW494.37 g/mol
LogP3.00
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide

4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide (PubChem CID 55706130) has the molecular formula C20H20BrN3O5S and a molecular weight of 494.37 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide
PubChem CID55706130
Molecular FormulaC20H20BrN3O5S
Molecular Weight494.37 g/mol
Exact Mass493.03
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)ccc1Br
InChIInChI=1S/C20H20BrN3O5S/c1-23(2)30(28,29)17-12-13(6-11-16(17)21)20(27)22-14-7-9-15(10-8-14)24-18(25)4-3-5-19(24)26/h6-12H,3-5H2,1-2H3,(H,22,27)
InChIKeyPEDDAXFGMSZAEB-UHFFFAOYSA-N
XLogP3.00
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 53.00
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

4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
5-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55962545
N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792846
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520201
N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate
CID 2173877
4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1127122
4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 7318599
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide
CID 55968625
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55339394
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide (CID 55706130) is 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is PEDDAXFGMSZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O5S/c1-23(2)30(28,29)17-12-13(6-11-16(17)21)20(27)22-14-7-9-15(10-8-14)24-18(25)4-3-5-19(24)26/h6-12H,3-5H2,1-2H3,(H,22,27).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 494.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 55706130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).