N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C21H26Cl2N4O3S — CID 55463873

IUPACN-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C21H26Cl2N4O3S/c1-3-27(4-2)31(29,30)15-7-8-19(26-9-5-6-10-26)16(13-15)21(28)25-14-11-17(22)20(24)18(23)12-14/h7-8,11-13H,3-6,9-10,24H2,1-2H3,(H,25,28)
InChIKeyWKMQOENVCHLIFL-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.46
Rot. Bonds7

About N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 55463873) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID55463873
Molecular FormulaC21H26Cl2N4O3S
Molecular Weight485.44 g/mol
Exact Mass484.11
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C21H26Cl2N4O3S/c1-3-27(4-2)31(29,30)15-7-8-19(26-9-5-6-10-26)16(13-15)21(28)25-14-11-17(22)20(24)18(23)12-14/h7-8,11-13H,3-6,9-10,24H2,1-2H3,(H,25,28)
InChIKeyWKMQOENVCHLIFL-UHFFFAOYSA-N
XLogP4.46
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
5-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 112764899
5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55481130
5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
CID 2540405
[2-(4-chlorophenyl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 16543701
5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-morpholin-4-ylbenzamide
CID 55990599
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55990464

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 55463873) is N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is WKMQOENVCHLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-3-27(4-2)31(29,30)15-7-8-19(26-9-5-6-10-26)16(13-15)21(28)25-14-11-17(22)20(24)18(23)12-14/h7-8,11-13H,3-6,9-10,24H2,1-2H3,(H,25,28).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 485.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55463873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).