3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide

C21H23N3O2S — CID 112983762

IUPAC3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N(C)CCc3ccncc3)cc2)c1
InChIInChI=1S/C21H23N3O2S/c1-17-4-3-5-21(16-17)27(25,26)23-19-6-8-20(9-7-19)24(2)15-12-18-10-13-22-14-11-18/h3-11,13-14,16,23H,12,15H2,1-2H3
InChIKeyKTBNRGHLVZAHJG-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.87
Rot. Bonds7

About 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide

3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide (PubChem CID 112983762) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
PubChem CID112983762
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N(C)CCc3ccncc3)cc2)c1
InChIInChI=1S/C21H23N3O2S/c1-17-4-3-5-21(16-17)27(25,26)23-19-6-8-20(9-7-19)24(2)15-12-18-10-13-22-14-11-18/h3-11,13-14,16,23H,12,15H2,1-2H3
InChIKeyKTBNRGHLVZAHJG-UHFFFAOYSA-N
XLogP3.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]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

N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983750
N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028583
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041484
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028585
N-[4-[butyl(methyl)amino]phenyl]-3-chlorobenzenesulfonamide
CID 112985397
3-methyl-N-[4-[naphthalen-1-yl(pyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 90836340

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide (CID 112983762) is 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(N(C)CCc3ccncc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
The InChIKey is KTBNRGHLVZAHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-17-4-3-5-21(16-17)27(25,26)23-19-6-8-20(9-7-19)24(2)15-12-18-10-13-22-14-11-18/h3-11,13-14,16,23H,12,15H2,1-2H3.
What are the key properties of 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 112983762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).