2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C17H20F2N2O2S2 — CID 16888267

IUPAC2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C17H20F2N2O2S2/c18-14-3-4-16(19)17(10-14)25(22,23)20-11-13-5-7-21(8-6-13)12-15-2-1-9-24-15/h1-4,9-10,13,20H,5-8,11-12H2
InChIKeyDBCKWPNWZGPYTC-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.22
Rot. Bonds6

About 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888267) has the molecular formula C17H20F2N2O2S2 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888267
Molecular FormulaC17H20F2N2O2S2
Molecular Weight386.49 g/mol
Exact Mass386.09
IUPAC Name2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C17H20F2N2O2S2/c18-14-3-4-16(19)17(10-14)25(22,23)20-11-13-5-7-21(8-6-13)12-15-2-1-9-24-15/h1-4,9-10,13,20H,5-8,11-12H2
InChIKeyDBCKWPNWZGPYTC-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.22
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-(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
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-methylbenzenesulfonamide
CID 6622340

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888267) is 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is DBCKWPNWZGPYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S2/c18-14-3-4-16(19)17(10-14)25(22,23)20-11-13-5-7-21(8-6-13)12-15-2-1-9-24-15/h1-4,9-10,13,20H,5-8,11-12H2.
What are the key properties of 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 386.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).