4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline

C18H20N2O2S — CID 70312249

IUPAC4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline
SMILESCC1=C(c2ccc(N)cc2)CN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c1-14-11-12-20(23(21,22)17-5-3-2-4-6-17)13-18(14)15-7-9-16(19)10-8-15/h2-10H,11-13,19H2,1H3
InChIKeyIZFOZRLLORWUCF-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.14
Rot. Bonds3

About 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline

4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline (PubChem CID 70312249) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline
PubChem CID70312249
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline
SMILESCC1=C(c2ccc(N)cc2)CN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c1-14-11-12-20(23(21,22)17-5-3-2-4-6-17)13-18(14)15-7-9-16(19)10-8-15/h2-10H,11-13,19H2,1H3
InChIKeyIZFOZRLLORWUCF-UHFFFAOYSA-N
XLogP3.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline 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

4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-2,5-dihydropyrrole
CID 135020021
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5-methylaniline
CID 43256206
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872676
3-(4-methylphenyl)sulfonyl-6-phenyl-2,4-dihydro-1H-benzo[f]isoquinoline
CID 102289711
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-[4-(4-benzylphenyl)piperazin-1-yl]sulfonylaniline
CID 2052057
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylaniline
CID 28511921
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline?
The IUPAC name of 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline (CID 70312249) is 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline?
The canonical SMILES for 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline is CC1=C(c2ccc(N)cc2)CN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline?
The InChIKey is IZFOZRLLORWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-11-12-20(23(21,22)17-5-3-2-4-6-17)13-18(14)15-7-9-16(19)10-8-15/h2-10H,11-13,19H2,1H3.
What are the key properties of 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline?
4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline has a molecular weight of 328.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]aniline is sourced from PubChem (CID 70312249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).