4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide

C18H21ClN2O3S — CID 110823956

IUPAC4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)18(22)13-20-16-7-5-6-15(19)12-16/h5-12,20H,3-4,13H2,1-2H3
InChIKeyZJZGZQFPHRGBPW-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.67
Rot. Bonds8

About 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide

4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide (PubChem CID 110823956) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide
PubChem CID110823956
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)18(22)13-20-16-7-5-6-15(19)12-16/h5-12,20H,3-4,13H2,1-2H3
InChIKeyZJZGZQFPHRGBPW-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[2-(3-iodoanilino)acetyl]benzenesulfonamide
CID 110823994
4-[2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]acetyl]-N,N-diethylbenzenesulfonamide
CID 110827927
N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 9083540
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide
CID 110823983
2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007903
1-(3-chloroanilino)propan-2-one
CID 21364413
[2-(3-chloroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510805
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
4-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]acetyl]-N,N-diethylbenzenesulfonamide
CID 110827897
N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide
CID 110827861

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide (CID 110823956) is 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is ZJZGZQFPHRGBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)18(22)13-20-16-7-5-6-15(19)12-16/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide?
4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 110823956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).