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

C21H23FN4O2S2 — CID 5156861

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C21H23FN4O2S2/c22-18-6-1-2-7-19(18)25-10-12-26(13-11-25)20(17-5-3-9-23-15-17)16-24-30(27,28)21-8-4-14-29-21/h1-9,14-15,20,24H,10-13,16H2
InChIKeyIHHAEIKYXJJKFQ-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.12
Rot. Bonds7

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

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 5156861) has the molecular formula C21H23FN4O2S2 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
PubChem CID5156861
Molecular FormulaC21H23FN4O2S2
Molecular Weight446.57 g/mol
Exact Mass446.12
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C21H23FN4O2S2/c22-18-6-1-2-7-19(18)25-10-12-26(13-11-25)20(17-5-3-9-23-15-17)16-24-30(27,28)21-8-4-14-29-21/h1-9,14-15,20,24H,10-13,16H2
InChIKeyIHHAEIKYXJJKFQ-UHFFFAOYSA-N
XLogP3.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 3237610
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
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806785
4-fluoro-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 94793640
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
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(4-methylphenyl)oxamide
CID 94793790
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 22517341
4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30328363
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (CID 5156861) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is IHHAEIKYXJJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S2/c22-18-6-1-2-7-19(18)25-10-12-26(13-11-25)20(17-5-3-9-23-15-17)16-24-30(27,28)21-8-4-14-29-21/h1-9,14-15,20,24H,10-13,16H2.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 446.57 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5156861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).