N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide

C14H24N2O3S — CID 2165059

IUPACN-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-16(5-2)12-6-11-15-20(17,18)14-9-7-13(19-3)8-10-14/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyHRXOCWBHAKOZGD-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.71
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide

N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide (PubChem CID 2165059) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide
PubChem CID2165059
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-16(5-2)12-6-11-15-20(17,18)14-9-7-13(19-3)8-10-14/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyHRXOCWBHAKOZGD-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.71
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 N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide (CID 2165059) is N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
The InChIKey is HRXOCWBHAKOZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-16(5-2)12-6-11-15-20(17,18)14-9-7-13(19-3)8-10-14/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide?
N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2165059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).