3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide

C16H20N2O2S — CID 43761911

IUPAC3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(NC(C)c2cccc(S(N)(=O)=O)c2)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-7-8-15(9-12(11)2)18-13(3)14-5-4-6-16(10-14)21(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20)
InChIKeyFSYKKAGVUPJGHH-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.12
Rot. Bonds4

About 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide

3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide (PubChem CID 43761911) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
PubChem CID43761911
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(NC(C)c2cccc(S(N)(=O)=O)c2)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-7-8-15(9-12(11)2)18-13(3)14-5-4-6-16(10-14)21(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20)
InChIKeyFSYKKAGVUPJGHH-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3,4-dimethylanilino)ethyl]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-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-[1-(4-nitroanilino)ethyl]benzenesulfonamide
CID 78814728
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 133358707
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
CID 43102327
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 97072580

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide (CID 43761911) is 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide is Cc1ccc(NC(C)c2cccc(S(N)(=O)=O)c2)cc1C.
What is the InChIKey of 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide?
The InChIKey is FSYKKAGVUPJGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-7-8-15(9-12(11)2)18-13(3)14-5-4-6-16(10-14)21(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20).
What are the key properties of 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide?
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43761911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).