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

C25H34N4O3S — CID 29198849

IUPACN,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C25H34N4O3S/c1-3-29(4-2)33(31,32)22-12-13-24(27-14-8-9-15-27)23(20-22)25(30)28-18-16-26(17-19-28)21-10-6-5-7-11-21/h5-7,10-13,20H,3-4,8-9,14-19H2,1-2H3
InChIKeyMPEFDAASIWAKEJ-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.28
Rot. Bonds7

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

N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 29198849) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID29198849
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC NameN,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C25H34N4O3S/c1-3-29(4-2)33(31,32)22-12-13-24(27-14-8-9-15-27)23(20-22)25(30)28-18-16-26(17-19-28)21-10-6-5-7-11-21/h5-7,10-13,20H,3-4,8-9,14-19H2,1-2H3
InChIKeyMPEFDAASIWAKEJ-UHFFFAOYSA-N
XLogP3.28
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.28
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-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55480216
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 27243877
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 11649168
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55901778
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
3-(4-but-3-ynylpiperazine-1-carbonyl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 86875946

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 29198849) is N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is MPEFDAASIWAKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-3-29(4-2)33(31,32)22-12-13-24(27-14-8-9-15-27)23(20-22)25(30)28-18-16-26(17-19-28)21-10-6-5-7-11-21/h5-7,10-13,20H,3-4,8-9,14-19H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 470.64 g/mol, XLogP of 3.28, 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-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 29198849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).