3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H20N2O4S3 — CID 646351

IUPAC3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H20N2O4S3/c19-24(20,17-13-14-6-5-11-23-14)15-7-4-8-16(12-15)25(21,22)18-9-2-1-3-10-18/h4-8,11-12,17H,1-3,9-10,13H2
InChIKeyAATZFRLPIPGZHG-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.40
Rot. Bonds6

About 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 646351) has the molecular formula C16H20N2O4S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID646351
Molecular FormulaC16H20N2O4S3
Molecular Weight400.55 g/mol
Exact Mass400.06
IUPAC Name3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H20N2O4S3/c19-24(20,17-13-14-6-5-11-23-14)15-7-4-8-16(12-15)25(21,22)18-9-2-1-3-10-18/h4-8,11-12,17H,1-3,9-10,13H2
InChIKeyAATZFRLPIPGZHG-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10807974, Example 14
CID 130344852
US10807974, Example 15
CID 130344869
US10807974, Example 9
CID 130344870
[5-[4-(2-Pyrrolidin-1-ylethylsulfonyl)phenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130345068
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
N-[2-(Benzenesulfonyl)-2-(thiophen-2-YL)ethyl]benzenesulfonamide
CID 16032970
[5-[4-(3-Pyrrolidin-1-ylpropylsulfonyl)phenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130344929
US10807974, Example 41
CID 130344930
US10807974, Example 26
CID 130345069
[5-[4-[2-(4-Methylsulfonylpiperazin-1-yl)ethylsulfonyl]phenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130345118

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 646351) is 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AATZFRLPIPGZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S3/c19-24(20,17-13-14-6-5-11-23-14)15-7-4-8-16(12-15)25(21,22)18-9-2-1-3-10-18/h4-8,11-12,17H,1-3,9-10,13H2.
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 400.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 646351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).