4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C20H25N3O3S — CID 652521

IUPAC4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)27(25,26)19-11-7-17(8-12-19)20(24)21-18-9-5-16(6-10-18)15-23-13-3-4-14-23/h5-12H,3-4,13-15H2,1-2H3,(H,21,24)
InChIKeyGPEAABITICTPKB-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.79
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide

4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 652521) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID652521
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)27(25,26)19-11-7-17(8-12-19)20(24)21-18-9-5-16(6-10-18)15-23-13-3-4-14-23/h5-12H,3-4,13-15H2,1-2H3,(H,21,24)
InChIKeyGPEAABITICTPKB-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
2-[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CID 2327953
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2810635
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 652521) is 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is GPEAABITICTPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)27(25,26)19-11-7-17(8-12-19)20(24)21-18-9-5-16(6-10-18)15-23-13-3-4-14-23/h5-12H,3-4,13-15H2,1-2H3,(H,21,24).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 652521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).