3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide

C15H19N3O2S — CID 43341117

IUPAC3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
SMILESCc1cccc(Nc2ccc(S(=O)(=O)N(C)C)cc2N)c1
InChIInChI=1S/C15H19N3O2S/c1-11-5-4-6-12(9-11)17-15-8-7-13(10-14(15)16)21(19,20)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyZPODHLKHRVXMLQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide

3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide (PubChem CID 43341117) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
PubChem CID43341117
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
SMILESCc1cccc(Nc2ccc(S(=O)(=O)N(C)C)cc2N)c1
InChIInChI=1S/C15H19N3O2S/c1-11-5-4-6-12(9-11)17-15-8-7-13(10-14(15)16)21(19,20)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyZPODHLKHRVXMLQ-UHFFFAOYSA-N
XLogP2.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide 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

3-amino-4-(3-methylanilino)benzenesulfonamide
CID 43153464
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118
4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 82898642
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448062
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299349
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
CID 103286682
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide (CID 43341117) is 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide is Cc1cccc(Nc2ccc(S(=O)(=O)N(C)C)cc2N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide?
The InChIKey is ZPODHLKHRVXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-5-4-6-12(9-11)17-15-8-7-13(10-14(15)16)21(19,20)18(2)3/h4-10,17H,16H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide?
3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide is sourced from PubChem (CID 43341117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).