N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide

C18H22N2O4S2 — CID 653040

IUPACN-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c21-25(22,19-15-16-7-3-1-4-8-16)17-9-11-18(12-10-17)26(23,24)20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyZIJWWVSXPUEYIC-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.34
Rot. Bonds6

About N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 653040) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID653040
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O4S2/c21-25(22,19-15-16-7-3-1-4-8-16)17-9-11-18(12-10-17)26(23,24)20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyZIJWWVSXPUEYIC-UHFFFAOYSA-N
XLogP2.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzenesulfonamide, N-benzyl-
CID 95236
Cyclotriazadisulfonamide
CID 466371
4-(Benzenesulfonamidomethyl)benzene-1-sulfonamide
CID 724642
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
1-(Benzenesulfonyl)-4-benzylpiperidine
CID 727417
4-methyl-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide
CID 2525511
Benzene-1,4-disulfonic acid 1-(benzyl-methyl-amide) 4-[cyclopentyl-(4-fluoro-benzyl)-amide]
CID 3150745
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 11674602
4-{2-[(2-Phenylethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 17158039
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]benzenesulfonamide
CID 23111951

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 653040) is N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is ZIJWWVSXPUEYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c21-25(22,19-15-16-7-3-1-4-8-16)17-9-11-18(12-10-17)26(23,24)20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2.
What are the key properties of N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 653040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).