N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

C19H24N2O4S2 — CID 654744

IUPACN-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S2/c22-26(23,20-14-13-17-7-3-1-4-8-17)18-9-11-19(12-10-18)27(24,25)21-15-5-2-6-16-21/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKeyHHDFITXCCGQUPX-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.38
Rot. Bonds7

About N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 654744) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID654744
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S2/c22-26(23,20-14-13-17-7-3-1-4-8-17)18-9-11-19(12-10-18)27(24,25)21-15-5-2-6-16-21/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKeyHHDFITXCCGQUPX-UHFFFAOYSA-N
XLogP2.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{2-[(Phenylsulfonyl)amino]ethyl}benzenesulfonamide
CID 2217668
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
1-(Benzenesulfonyl)-4-benzylpiperidine
CID 727417
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide
CID 1018257
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-(Phenethylamino)ethyl)benzenesulfonamide
CID 17158039
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]benzenesulfonamide
CID 23111951
1-(Biphenyl-4-sulfonyl)-piperidine
CID 762677
N-Phenethylbenzenesulfonamide
CID 254130
Benzenesulfonamide, N,N'-1,6-hexanediylbis[4-methyl-
CID 283340
N-(3-phenylpropyl)benzenesulfonamide
CID 3600699

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 654744) is N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is HHDFITXCCGQUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c22-26(23,20-14-13-17-7-3-1-4-8-17)18-9-11-19(12-10-18)27(24,25)21-15-5-2-6-16-21/h1,3-4,7-12,20H,2,5-6,13-16H2.
What are the key properties of N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 654744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).