N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide

C19H26N4O2S — CID 4070204

IUPACN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2S/c1-2-26(24,25)21-16-19(17-7-6-10-20-15-17)23-13-11-22(12-14-23)18-8-4-3-5-9-18/h3-10,15,19,21H,2,11-14,16H2,1H3
InChIKeyBRJQHSGBDMQDFB-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide

N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide (PubChem CID 4070204) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
PubChem CID4070204
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2S/c1-2-26(24,25)21-16-19(17-7-6-10-20-15-17)23-13-11-22(12-14-23)18-8-4-3-5-9-18/h3-10,15,19,21H,2,11-14,16H2,1H3
InChIKeyBRJQHSGBDMQDFB-UHFFFAOYSA-N
XLogP1.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435100
rac-N1-(1-(4-Methylpyridin-2-yl)ethyl)-N1-(3-methylpyridin-2-yl)methyl)butane-1,4-diamine
CID 53324136
(E)-1-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)-4-(isopropylsulfonyl)piperazine
CID 121481824
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
CID 5156859
N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 16194574
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
4-(2,6-Dimethyl-piperidine-1-sulfonyl)-N-(2-pyridin-4-yl-ethyl)-benzenesulfonamide
CID 3226853
Ethanesulfonic acid [3-(1-phenyl-ethyl)-phenyl]-pyridin-3-ylmethyl-amide
CID 10249222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide (CID 4070204) is N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide is CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The InChIKey is BRJQHSGBDMQDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-26(24,25)21-16-19(17-7-6-10-20-15-17)23-13-11-22(12-14-23)18-8-4-3-5-9-18/h3-10,15,19,21H,2,11-14,16H2,1H3.
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide is sourced from PubChem (CID 4070204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).