N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

C24H25ClFN3O3S — CID 25342508

IUPACN-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C24H25ClFN3O3S/c1-16-7-4-5-10-21(16)28-33(31,32)18-13-11-17(12-14-18)24(30)27-15-22(29(2)3)23-19(25)8-6-9-20(23)26/h4-14,22,28H,15H2,1-3H3,(H,27,30)/t22-/m0/s1
InChIKeyAIJLXDQMLWAXAP-QFIPXVFZSA-N
MW490.00 g/mol
LogP4.62
Rot. Bonds8

About N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 25342508) has the molecular formula C24H25ClFN3O3S and a molecular weight of 490.00 g/mol. Its IUPAC name is N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID25342508
Molecular FormulaC24H25ClFN3O3S
Molecular Weight490.00 g/mol
Exact Mass489.13
IUPAC NameN-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C24H25ClFN3O3S/c1-16-7-4-5-10-21(16)28-33(31,32)18-13-11-17(12-14-18)24(30)27-15-22(29(2)3)23-19(25)8-6-9-20(23)26/h4-14,22,28H,15H2,1-3H3,(H,27,30)/t22-/m0/s1
InChIKeyAIJLXDQMLWAXAP-QFIPXVFZSA-N
XLogP4.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 25478911
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24674869
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (CID 25342508) is N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is AIJLXDQMLWAXAP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25ClFN3O3S/c1-16-7-4-5-10-21(16)28-33(31,32)18-13-11-17(12-14-18)24(30)27-15-22(29(2)3)23-19(25)8-6-9-20(23)26/h4-14,22,28H,15H2,1-3H3,(H,27,30)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 490.00 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25342508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).