[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium

C19H25ClN3O3S+ — CID 8916153

IUPAC[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1
InChIInChI=1S/C19H24ClN3O3S/c1-22(2)18(16-10-5-6-11-17(16)20)13-21-19(24)14-8-7-9-15(12-14)27(25,26)23(3)4/h5-12,18H,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyNSXCKRUVGGGYSA-SFHVURJKSA-O
MW410.95 g/mol
LogP1.21
Rot. Bonds7

About [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium

[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium (PubChem CID 8916153) has the molecular formula C19H25ClN3O3S+ and a molecular weight of 410.95 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
PubChem CID8916153
Molecular FormulaC19H25ClN3O3S+
Molecular Weight410.95 g/mol
Exact Mass410.13
IUPAC Name[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1
InChIInChI=1S/C19H24ClN3O3S/c1-22(2)18(16-10-5-6-11-17(16)20)13-21-19(24)14-8-7-9-15(12-14)27(25,26)23(3)4/h5-12,18H,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyNSXCKRUVGGGYSA-SFHVURJKSA-O
XLogP1.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
[(1R)-1-(2-chlorophenyl)-2-[(4-cyanobenzoyl)amino]ethyl]-dimethylazanium
CID 9389581
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828908
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
CID 26795013
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium (CID 8916153) is [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium is CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium?
The InChIKey is NSXCKRUVGGGYSA-SFHVURJKSA-O. The full InChI is InChI=1S/C19H24ClN3O3S/c1-22(2)18(16-10-5-6-11-17(16)20)13-21-19(24)14-8-7-9-15(12-14)27(25,26)23(3)4/h5-12,18H,13H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium?
[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium has a molecular weight of 410.95 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8916153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).