4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide

C16H26N2O3S — CID 110408180

IUPAC4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-18(2)13-5-12-17-22(19,20)16-10-8-15(9-11-16)21-14-6-3-4-7-14/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeyMPZAFMHFGVNCEH-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.24
Rot. Bonds8

About 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide

4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 110408180) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
PubChem CID110408180
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-18(2)13-5-12-17-22(19,20)16-10-8-15(9-11-16)21-14-6-3-4-7-14/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeyMPZAFMHFGVNCEH-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide (CID 110408180) is 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is MPZAFMHFGVNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-18(2)13-5-12-17-22(19,20)16-10-8-15(9-11-16)21-14-6-3-4-7-14/h8-11,14,17H,3-7,12-13H2,1-2H3.
What are the key properties of 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide?
4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 110408180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).