N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride

C23H27ClN4O2S — CID 121256309

IUPACN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1cccnc1
InChIInChI=1S/C23H26N4O2S.ClH/c28-30(29,23-7-4-13-24-19-23)25-21-10-8-20(9-11-21)12-14-26-15-17-27(18-16-26)22-5-2-1-3-6-22;/h1-11,13,19,25H,12,14-18H2;1H
InChIKeyKPLWFMFFEQUQIN-UHFFFAOYSA-N
MW459.02 g/mol
LogP3.67
Rot. Bonds7

About N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride

N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride (PubChem CID 121256309) has the molecular formula C23H27ClN4O2S and a molecular weight of 459.02 g/mol. Its IUPAC name is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride
PubChem CID121256309
Molecular FormulaC23H27ClN4O2S
Molecular Weight459.02 g/mol
Exact Mass458.15
IUPAC NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1cccnc1
InChIInChI=1S/C23H26N4O2S.ClH/c28-30(29,23-7-4-13-24-19-23)25-21-10-8-20(9-11-21)12-14-26-15-17-27(18-16-26)22-5-2-1-3-6-22;/h1-11,13,19,25H,12,14-18H2;1H
InChIKeyKPLWFMFFEQUQIN-UHFFFAOYSA-N
XLogP3.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.02
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2-(4-(3-cyano-5-trifluoromethylphenyl)piperazin-1-yl)ethyl)cyclohexyl)-3-pyridinesulfonic amide
CID 10142798
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
N-((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 24180454
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435100
(E)-1-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)-4-(isopropylsulfonyl)piperazine
CID 121481824
(E)-1-(cyclopropylsulfonyl)-4-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)piperazine
CID 121481838
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
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-difluorophenyl)sulfonyl-N-pyridin-3-ylbenzenecarboximidamide
CID 5674012
3-Pyridyl{[3-(trifluoromethyl)phenyl]sulfonyl}amine
CID 697901

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride (CID 121256309) is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is KPLWFMFFEQUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S.ClH/c28-30(29,23-7-4-13-24-19-23)25-21-10-8-20(9-11-21)12-14-26-15-17-27(18-16-26)22-5-2-1-3-6-22;/h1-11,13,19,25H,12,14-18H2;1H.
What are the key properties of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride?
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 459.02 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 121256309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).