N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

C26H36N4O3S — CID 30738697

IUPACN-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(CCN3CCCC3)CC2)ccc1C
InChIInChI=1S/C26H36N4O3S/c1-3-30(24-9-5-4-6-10-24)34(32,33)25-21-23(12-11-22(25)2)26(31)29-19-17-28(18-20-29)16-15-27-13-7-8-14-27/h4-6,9-12,21H,3,7-8,13-20H2,1-2H3
InChIKeyROJAEHYXFQRZLK-UHFFFAOYSA-N
MW484.67 g/mol
LogP3.06
Rot. Bonds8

About N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 30738697) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID30738697
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC NameN-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(CCN3CCCC3)CC2)ccc1C
InChIInChI=1S/C26H36N4O3S/c1-3-30(24-9-5-4-6-10-24)34(32,33)25-21-23(12-11-22(25)2)26(31)29-19-17-28(18-20-29)16-15-27-13-7-8-14-27/h4-6,9-12,21H,3,7-8,13-20H2,1-2H3
InChIKeyROJAEHYXFQRZLK-UHFFFAOYSA-N
XLogP3.06
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 30540723
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-propylbenzamide
CID 18104844
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 24818212
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 24504087
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535088
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 4849587
[(1S)-1-cyanoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609331
(4-ethylpiperazin-1-yl)-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 99968718
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55495250

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 30738697) is N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(CCN3CCCC3)CC2)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is ROJAEHYXFQRZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-3-30(24-9-5-4-6-10-24)34(32,33)25-21-23(12-11-22(25)2)26(31)29-19-17-28(18-20-29)16-15-27-13-7-8-14-27/h4-6,9-12,21H,3,7-8,13-20H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 484.67 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 30738697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).