3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide

C22H30ClN3O3S — CID 110828908

IUPAC3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)C(CNCC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl
InChIInChI=1S/C22H30ClN3O3S/c1-5-26(6-2)21(19-12-7-8-13-20(19)23)15-24-16-22(27)17-10-9-11-18(14-17)30(28,29)25(3)4/h7-14,21,24H,5-6,15-16H2,1-4H3
InChIKeyMCUYDMUPKMBRFE-UHFFFAOYSA-N
MW452.02 g/mol
LogP3.45
Rot. Bonds11

About 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide

3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 110828908) has the molecular formula C22H30ClN3O3S and a molecular weight of 452.02 g/mol. Its IUPAC name is 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
PubChem CID110828908
Molecular FormulaC22H30ClN3O3S
Molecular Weight452.02 g/mol
Exact Mass451.17
IUPAC Name3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)C(CNCC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl
InChIInChI=1S/C22H30ClN3O3S/c1-5-26(6-2)21(19-12-7-8-13-20(19)23)15-24-16-22(27)17-10-9-11-18(14-17)30(28,29)25(3)4/h7-14,21,24H,5-6,15-16H2,1-4H3
InChIKeyMCUYDMUPKMBRFE-UHFFFAOYSA-N
XLogP3.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.02
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829029
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829873
3-[2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828929
[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
CID 8916153
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 25494570
2-[[2-(4-chlorophenyl)-2-(diethylamino)ethyl]amino]-1-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829315
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
2-[[2-(dimethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829028
3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide
CID 110824420
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 51895775
N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide
CID 110824385
(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
CID 55934835

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide (CID 110828908) is 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide is CCN(CC)C(CNCC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl.
What is the InChIKey of 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MCUYDMUPKMBRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3S/c1-5-26(6-2)21(19-12-7-8-13-20(19)23)15-24-16-22(27)17-10-9-11-18(14-17)30(28,29)25(3)4/h7-14,21,24H,5-6,15-16H2,1-4H3.
What are the key properties of 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 452.02 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 110828908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).