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

C21H24N4O2S2 — CID 3237610

IUPACN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(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
InChIKeyRQWZVLYMKHQCFD-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 3237610) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
PubChem CID3237610
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(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
InChIKeyRQWZVLYMKHQCFD-UHFFFAOYSA-N
XLogP2.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]thiophene-2-sulfonamide
CID 4070202
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40607001
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40606999
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3241938
2-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]propanamide
CID 3503405
N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 43957215
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27420842
N'-[(2R)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27564120

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (CID 3237610) is N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is RQWZVLYMKHQCFD-UHFFFAOYSA-N. 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.
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 428.58 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3237610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).