3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide

C12H21N3O2S — CID 4665710

IUPAC3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)18(16,17)10-7-8-12(14(3)4)11(13)9-10/h7-9H,5-6,13H2,1-4H3
InChIKeyGVYOYNOYNUNECZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.37
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide

3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide (PubChem CID 4665710) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide
PubChem CID4665710
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)18(16,17)10-7-8-12(14(3)4)11(13)9-10/h7-9H,5-6,13H2,1-4H3
InChIKeyGVYOYNOYNUNECZ-UHFFFAOYSA-N
XLogP1.37
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 29393
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CID 14612854
CID 14612854
CID 901897
CID 901897
CID 567261
CID 567261
CID 95067
CID 95067
CID 4558331
CID 4558331
CID 23669136
CID 23669136
CID 3870903
CID 3870903
CID 833589
CID 833589
CID 121474266
CID 121474266
CID 10512636
CID 10512636
CID 28819101
CID 28819101

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide (CID 4665710) is 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
The InChIKey is GVYOYNOYNUNECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15(6-2)18(16,17)10-7-8-12(14(3)4)11(13)9-10/h7-9H,5-6,13H2,1-4H3.
What are the key properties of 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 4665710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).