N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

C16H20N2O4S3 — CID 2810734

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C16H20N2O4S3/c19-24(20,16-7-4-12-23-16)17-13-14-8-10-18(11-9-14)25(21,22)15-5-2-1-3-6-15/h1-7,12,14,17H,8-11,13H2
InChIKeyQSWHFEKJOVZPJU-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.13
Rot. Bonds6

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 2810734) has the molecular formula C16H20N2O4S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID2810734
Molecular FormulaC16H20N2O4S3
Molecular Weight400.55 g/mol
Exact Mass400.06
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C16H20N2O4S3/c19-24(20,16-7-4-12-23-16)17-13-14-8-10-18(11-9-14)25(21,22)15-5-2-1-3-6-15/h1-7,12,14,17H,8-11,13H2
InChIKeyQSWHFEKJOVZPJU-UHFFFAOYSA-N
XLogP2.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzyl-1-(2-thienylsulfonyl)piperidine
CID 674994
N-[2-(Benzenesulfonyl)-2-(thiophen-2-YL)ethyl]benzenesulfonamide
CID 16032970
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
4-[2-(Isobutylamino-methyl)-benzenesulfonyl]-thiophene-2-sulfonic acid amide; hydrochloride
CID 10091688
4-[4-(Isobutylamino-methyl)-benzenesulfonyl]-thiophene-2-sulfonic acid amide; hydrochloride
CID 14642295
2-{[4-(2-Phenylethyl)piperazinyl]sulfonyl}thiophene
CID 2810368
2,5-difluoro-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888267
2-fluoro-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888269
1-(2-fluorophenyl)-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)methanesulfonamide
CID 16888334
1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47087743
1-((2-Fluorophenyl)sulfonyl)-4-(thiophen-2-yl)piperidine
CID 71786911

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 2810734) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is QSWHFEKJOVZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S3/c19-24(20,16-7-4-12-23-16)17-13-14-8-10-18(11-9-14)25(21,22)15-5-2-1-3-6-15/h1-7,12,14,17H,8-11,13H2.
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 400.55 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2810734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).