5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide

C15H25ClN2O3S — CID 110446678

IUPAC5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCCCNS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H25ClN2O3S/c1-4-18(5-2)11-7-6-10-17-22(19,20)15-12-13(16)8-9-14(15)21-3/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyKJTZDSKKNVTRCJ-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.75
Rot. Bonds10

About 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide

5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide (PubChem CID 110446678) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
PubChem CID110446678
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC Name5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCCCNS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H25ClN2O3S/c1-4-18(5-2)11-7-6-10-17-22(19,20)15-12-13(16)8-9-14(15)21-3/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyKJTZDSKKNVTRCJ-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065075
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
CID 70601990
CID 70601990
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide (CID 110446678) is 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide is CCN(CC)CCCCNS(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide?
The InChIKey is KJTZDSKKNVTRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O3S/c1-4-18(5-2)11-7-6-10-17-22(19,20)15-12-13(16)8-9-14(15)21-3/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide has a molecular weight of 348.90 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110446678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).