2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C17H21FN2O2S2 — CID 16888269

IUPAC2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccccc1F
InChIInChI=1S/C17H21FN2O2S2/c18-16-5-1-2-6-17(16)24(21,22)19-12-14-7-9-20(10-8-14)13-15-4-3-11-23-15/h1-6,11,14,19H,7-10,12-13H2
InChIKeyJUCUDKDZQMSTTP-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.08
Rot. Bonds6

About 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888269) has the molecular formula C17H21FN2O2S2 and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888269
Molecular FormulaC17H21FN2O2S2
Molecular Weight368.50 g/mol
Exact Mass368.10
IUPAC Name2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccccc1F
InChIInChI=1S/C17H21FN2O2S2/c18-16-5-1-2-6-17(16)24(21,22)19-12-14-7-9-20(10-8-14)13-15-4-3-11-23-15/h1-6,11,14,19H,7-10,12-13H2
InChIKeyJUCUDKDZQMSTTP-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 4882031
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
3-(Piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 646351
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide
CID 1817801
4-(3-Methyl-piperidine-1-sulfonyl)-N-(1-thiophen-2-yl-ethyl)-benzenesulfonamide
CID 3226730
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790
1-[(3-Fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine
CID 4768672
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-fluorobenzenesulfonamide
CID 5310550

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888269) is 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is JUCUDKDZQMSTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S2/c18-16-5-1-2-6-17(16)24(21,22)19-12-14-7-9-20(10-8-14)13-15-4-3-11-23-15/h1-6,11,14,19H,7-10,12-13H2.
What are the key properties of 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).