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

C15H19N3O2S — CID 107115709

IUPAC2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
SMILESCc1ccc(Nc2cccc(S(=O)(=O)N(C)C)c2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-7-9-12(10-8-11)17-13-5-4-6-14(15(13)16)21(19,20)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyYIXWAAZEUITWOB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide

2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide (PubChem CID 107115709) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
PubChem CID107115709
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
SMILESCc1ccc(Nc2cccc(S(=O)(=O)N(C)C)c2N)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-7-9-12(10-8-11)17-13-5-4-6-14(15(13)16)21(19,20)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyYIXWAAZEUITWOB-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'}

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Related Compounds

2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115669
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 107115678
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
1-N-(3,4-dimethylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003242
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 107116325

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide (CID 107115709) is 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide is Cc1ccc(Nc2cccc(S(=O)(=O)N(C)C)c2N)cc1.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide?
The InChIKey is YIXWAAZEUITWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-7-9-12(10-8-11)17-13-5-4-6-14(15(13)16)21(19,20)18(2)3/h4-10,17H,16H2,1-3H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(4-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 2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide is sourced from PubChem (CID 107115709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).