N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide

C21H25N4O2S2+ — CID 4070202

IUPACN-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H24N4O2S2/c26-29(27,21-9-5-15-28-21)23-17-20(18-6-4-10-22-16-18)25-13-11-24(12-14-25)19-7-2-1-3-8-19/h1-10,15-16,20,23H,11-14,17H2/p+1
InChIKeyRQWZVLYMKHQCFD-UHFFFAOYSA-O
MW429.59 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide

N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 4070202) has the molecular formula C21H25N4O2S2+ and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
PubChem CID4070202
Molecular FormulaC21H25N4O2S2+
Molecular Weight429.59 g/mol
Exact Mass429.14
IUPAC NameN-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H24N4O2S2/c26-29(27,21-9-5-15-28-21)23-17-20(18-6-4-10-22-16-18)25-13-11-24(12-14-25)19-7-2-1-3-8-19/h1-10,15-16,20,23H,11-14,17H2/p+1
InChIKeyRQWZVLYMKHQCFD-UHFFFAOYSA-O
XLogP1.57
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 3237610
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 4070205
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 5156861
N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 7087582
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 3503410
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 4059551
4-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995693
4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 40903607
5-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-sulfonamide
CID 40903625
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (CID 4070202) is N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is RQWZVLYMKHQCFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O2S2/c26-29(27,21-9-5-15-28-21)23-17-20(18-6-4-10-22-16-18)25-13-11-24(12-14-25)19-7-2-1-3-8-19/h1-10,15-16,20,23H,11-14,17H2/p+1.
What are the key properties of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 429.59 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4070202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).