4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C17H22N2O4S3 — CID 3871289

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H22N2O4S3/c1-14-5-2-3-11-19(14)26(22,23)17-9-7-16(8-10-17)25(20,21)18-13-15-6-4-12-24-15/h4,6-10,12,14,18H,2-3,5,11,13H2,1H3
InChIKeyAAGVWUJPXBMCMG-UHFFFAOYSA-N
MW414.57 g/mol
LogP2.79
Rot. Bonds6

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 3871289) has the molecular formula C17H22N2O4S3 and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID3871289
Molecular FormulaC17H22N2O4S3
Molecular Weight414.57 g/mol
Exact Mass414.07
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H22N2O4S3/c1-14-5-2-3-11-19(14)26(22,23)17-9-7-16(8-10-17)25(20,21)18-13-15-6-4-12-24-15/h4,6-10,12,14,18H,2-3,5,11,13H2,1H3
InChIKeyAAGVWUJPXBMCMG-UHFFFAOYSA-N
XLogP2.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 92865542
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428510
N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 18574283
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
1-[4-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354937
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110827326
1-(benzenesulfonyl)-N-(2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 42907960

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 3871289) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AAGVWUJPXBMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S3/c1-14-5-2-3-11-19(14)26(22,23)17-9-7-16(8-10-17)25(20,21)18-13-15-6-4-12-24-15/h4,6-10,12,14,18H,2-3,5,11,13H2,1H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3871289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).