3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide

C12H21N3O2S — CID 28795747

IUPAC3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)12-8-7-10(9-11(12)13)18(16,17)14(3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyJZFUDRROLGJGCZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.37
Rot. Bonds5

About 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide

3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 28795747) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID28795747
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)12-8-7-10(9-11(12)13)18(16,17)14(3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyJZFUDRROLGJGCZ-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

3-amino-4-[bis(cyanomethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 43162677
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899326
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 79477025
1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79381958
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 43341134
3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
CID 3578870
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide (CID 28795747) is 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide is CCN(CC)c1ccc(S(=O)(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is JZFUDRROLGJGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15(6-2)12-8-7-10(9-11(12)13)18(16,17)14(3)4/h7-9H,5-6,13H2,1-4H3.
What are the key properties of 3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide 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-(diethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 28795747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).