N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide

C19H28N4O2S+2 — CID 9211443

IUPACN-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)[nH+]c1
InChIInChI=1S/C19H26N4O2S/c1-3-21-12-14-22(15-13-21)19-11-10-18(16-20-19)26(24,25)23(4-2)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3/p+2
InChIKeySDROPIHMKYBFML-UHFFFAOYSA-P
MW376.53 g/mol
LogP0.44
Rot. Bonds6

About N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide

N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide (PubChem CID 9211443) has the molecular formula C19H28N4O2S+2 and a molecular weight of 376.53 g/mol. Its IUPAC name is N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide
PubChem CID9211443
Molecular FormulaC19H28N4O2S+2
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)[nH+]c1
InChIInChI=1S/C19H26N4O2S/c1-3-21-12-14-22(15-13-21)19-11-10-18(16-20-19)26(24,25)23(4-2)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3/p+2
InChIKeySDROPIHMKYBFML-UHFFFAOYSA-P
XLogP0.44
TPSA59.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide
CID 7044022
N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide
CID 9211245
6-[4-(2-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 9281715
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N,N-diethyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide
CID 9186578
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 26009023
4-(3,5-dimethylpiperidine-1-carbonyl)-N-ethyl-N-phenylbenzenesulfonamide
CID 17479841
4-chloro-3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2334711
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide?
The IUPAC name of N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide (CID 9211443) is N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide?
The canonical SMILES for N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)[nH+]c1.
What is the InChIKey of N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide?
The InChIKey is SDROPIHMKYBFML-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H26N4O2S/c1-3-21-12-14-22(15-13-21)19-11-10-18(16-20-19)26(24,25)23(4-2)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3/p+2.
What are the key properties of N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide?
N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide has a molecular weight of 376.53 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 9211443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).