N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide

C21H33N3O4S — CID 55480216

IUPACN,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C21H33N3O4S/c1-4-24(5-2)29(26,27)18-8-9-20(22-12-6-7-13-22)19(16-18)21(25)23-14-10-17(28-3)11-15-23/h8-9,16-17H,4-7,10-15H2,1-3H3
InChIKeyHQXFESJEHGMHIZ-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.57
Rot. Bonds7

About N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide

N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 55480216) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID55480216
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC NameN,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C21H33N3O4S/c1-4-24(5-2)29(26,27)18-8-9-20(22-12-6-7-13-22)19(16-18)21(25)23-14-10-17(28-3)11-15-23/h8-9,16-17H,4-7,10-15H2,1-3H3
InChIKeyHQXFESJEHGMHIZ-UHFFFAOYSA-N
XLogP2.57
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55564764
N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 29198849
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55901778
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
N,N-diethyl-4-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559116
N,N-diethyl-4-methyl-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340112
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 16543719
5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
N,N-dimethyl-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55978794
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 55480785

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 55480216) is N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(OC)CC2)c1.
What is the InChIKey of N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is HQXFESJEHGMHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-4-24(5-2)29(26,27)18-8-9-20(22-12-6-7-13-22)19(16-18)21(25)23-14-10-17(28-3)11-15-23/h8-9,16-17H,4-7,10-15H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 423.58 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 55480216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).