N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide

C17H28N2O3S — CID 119993786

IUPACN-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CCC)C2CCNCC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-3-13-19(15-9-11-18-12-10-15)23(20,21)17-7-5-16(6-8-17)22-14-4-2/h5-8,15,18H,3-4,9-14H2,1-2H3
InChIKeyXFWMILXJHZBVKR-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.63
Rot. Bonds8

About N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide

N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide (PubChem CID 119993786) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
PubChem CID119993786
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CCC)C2CCNCC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-3-13-19(15-9-11-18-12-10-15)23(20,21)17-7-5-16(6-8-17)22-14-4-2/h5-8,15,18H,3-4,9-14H2,1-2H3
InChIKeyXFWMILXJHZBVKR-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299303
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120712674

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide?
The IUPAC name of N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide (CID 119993786) is N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide?
The canonical SMILES for N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide is CCCOc1ccc(S(=O)(=O)N(CCC)C2CCNCC2)cc1.
What is the InChIKey of N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide?
The InChIKey is XFWMILXJHZBVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-3-13-19(15-9-11-18-12-10-15)23(20,21)17-7-5-16(6-8-17)22-14-4-2/h5-8,15,18H,3-4,9-14H2,1-2H3.
What are the key properties of N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide?
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 119993786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).