2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide

C10H17N3O2S — CID 86811819

IUPAC2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)c1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C10H17N3O2S/c1-12(2)8-6-5-7-9(10(8)11)16(14,15)13(3)4/h5-7H,11H2,1-4H3
InChIKeyFFRRRUARUTWDEW-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.59
Rot. Bonds3

About 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide

2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 86811819) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID86811819
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)c1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C10H17N3O2S/c1-12(2)8-6-5-7-9(10(8)11)16(14,15)13(3)4/h5-7H,11H2,1-4H3
InChIKeyFFRRRUARUTWDEW-UHFFFAOYSA-N
XLogP0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide (CID 86811819) is 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide is CN(C)c1cccc(S(=O)(=O)N(C)C)c1N.
What is the InChIKey of 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is FFRRRUARUTWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-12(2)8-6-5-7-9(10(8)11)16(14,15)13(3)4/h5-7H,11H2,1-4H3.
What are the key properties of 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 86811819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).