4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide

C14H25N3O3S — CID 3046698

IUPAC4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H25N3O3S/c1-4-17(5-2)10-6-9-16-21(18,19)14-8-7-12(15)11-13(14)20-3/h7-8,11,16H,4-6,9-10,15H2,1-3H3
InChIKeyALDGITBBMMFVPY-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.29
Rot. Bonds9

About 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide

4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide (PubChem CID 3046698) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
PubChem CID3046698
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H25N3O3S/c1-4-17(5-2)10-6-9-16-21(18,19)14-8-7-12(15)11-13(14)20-3/h7-8,11,16H,4-6,9-10,15H2,1-3H3
InChIKeyALDGITBBMMFVPY-UHFFFAOYSA-N
XLogP1.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
CID 43566769
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide (CID 3046698) is 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide?
The InChIKey is ALDGITBBMMFVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-17(5-2)10-6-9-16-21(18,19)14-8-7-12(15)11-13(14)20-3/h7-8,11,16H,4-6,9-10,15H2,1-3H3.
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide?
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3046698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).