N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide

C17H27N3O3S — CID 109059405

IUPACN-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-19(2)12-6-11-18-24(22,23)16-9-7-15(8-10-16)17(21)20-13-4-3-5-14-20/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyPVJSITLUBWIILU-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.54
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide

N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059405) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109059405
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-19(2)12-6-11-18-24(22,23)16-9-7-15(8-10-16)17(21)20-13-4-3-5-14-20/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyPVJSITLUBWIILU-UHFFFAOYSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109059596
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-(2-cyanoethyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55815739
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide (CID 109059405) is N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is PVJSITLUBWIILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(2)12-6-11-18-24(22,23)16-9-7-15(8-10-16)17(21)20-13-4-3-5-14-20/h7-10,18H,3-6,11-14H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).