5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide

C14H25N3O3S — CID 79961695

IUPAC5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C14H25N3O3S/c1-5-17(6-2)8-7-16-21(18,19)14-10-12(15)11(3)9-13(14)20-4/h9-10,16H,5-8,15H2,1-4H3
InChIKeyPAVDLDNFELJFSQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.21
Rot. Bonds8

About 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide

5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 79961695) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
PubChem CID79961695
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(N)c(C)cc1OC
InChIInChI=1S/C14H25N3O3S/c1-5-17(6-2)8-7-16-21(18,19)14-10-12(15)11(3)9-13(14)20-4/h9-10,16H,5-8,15H2,1-4H3
InChIKeyPAVDLDNFELJFSQ-UHFFFAOYSA-N
XLogP1.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide 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

5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974809

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide (CID 79961695) is 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cc(N)c(C)cc1OC.
What is the InChIKey of 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is PAVDLDNFELJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-5-17(6-2)8-7-16-21(18,19)14-10-12(15)11(3)9-13(14)20-4/h9-10,16H,5-8,15H2,1-4H3.
What are the key properties of 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 79961695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).