N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide

C19H24N2O2S — CID 71050440

IUPACN-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H24N2O2S/c22-24(23,20-15-17-7-3-1-4-8-17)19-11-9-18(10-12-19)16-21-13-5-2-6-14-21/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKeyASJUZTNGGGBQPV-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.15
Rot. Bonds6

About N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide

N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide (PubChem CID 71050440) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
PubChem CID71050440
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H24N2O2S/c22-24(23,20-15-17-7-3-1-4-8-17)19-11-9-18(10-12-19)16-21-13-5-2-6-14-21/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKeyASJUZTNGGGBQPV-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096857
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
1-benzylazepane
CID 10954328
4-bromo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258362
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide (CID 71050440) is N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The InChIKey is ASJUZTNGGGBQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-24(23,20-15-17-7-3-1-4-8-17)19-11-9-18(10-12-19)16-21-13-5-2-6-14-21/h1,3-4,7-12,20H,2,5-6,13-16H2.
What are the key properties of N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71050440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).