N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

C21H26N2O3S — CID 109063301

IUPACN-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCCc2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C21H26N2O3S/c24-21(23-15-5-2-6-16-23)19-12-7-13-20(17-19)27(25,26)22-14-8-11-18-9-3-1-4-10-18/h1,3-4,7,9-10,12-13,17,22H,2,5-6,8,11,14-16H2
InChIKeyDXBACKZZWDWZNS-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.22
Rot. Bonds7

About N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109063301) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109063301
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCCCc2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C21H26N2O3S/c24-21(23-15-5-2-6-16-23)19-12-7-13-20(17-19)27(25,26)22-14-8-11-18-9-3-1-4-10-18/h1,3-4,7,9-10,12-13,17,22H,2,5-6,8,11,14-16H2
InChIKeyDXBACKZZWDWZNS-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 72877749
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 72896002
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 109063301) is N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCCCc2ccccc2)c1)N1CCCCC1.
What is the InChIKey of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is DXBACKZZWDWZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(23-15-5-2-6-16-23)19-12-7-13-20(17-19)27(25,26)22-14-8-11-18-9-3-1-4-10-18/h1,3-4,7,9-10,12-13,17,22H,2,5-6,8,11,14-16H2.
What are the key properties of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).