5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide

C26H26N2O4S — CID 112803139

IUPAC5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)ccc2C)c1
InChIInChI=1S/C26H26N2O4S/c1-18-4-3-5-23(16-18)27-33(31,32)25-17-22(7-6-19(25)2)26(30)28-14-12-21(13-15-28)20-8-10-24(29)11-9-20/h3-12,16-17,27,29H,13-15H2,1-2H3
InChIKeyZQWQRPYZXZQVTF-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.74
Rot. Bonds5

About 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide

5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 112803139) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID112803139
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)ccc2C)c1
InChIInChI=1S/C26H26N2O4S/c1-18-4-3-5-23(16-18)27-33(31,32)25-17-22(7-6-19(25)2)26(30)28-14-12-21(13-15-28)20-8-10-24(29)11-9-20/h3-12,16-17,27,29H,13-15H2,1-2H3
InChIKeyZQWQRPYZXZQVTF-UHFFFAOYSA-N
XLogP4.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide with MolForge

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Related Compounds

2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119578072
ethyl 4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 35743469
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 126414305
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 2982299
(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone
CID 112811513
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2986770
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 112803139) is 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)ccc2C)c1.
What is the InChIKey of 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is ZQWQRPYZXZQVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-18-4-3-5-23(16-18)27-33(31,32)25-17-22(7-6-19(25)2)26(30)28-14-12-21(13-15-28)20-8-10-24(29)11-9-20/h3-12,16-17,27,29H,13-15H2,1-2H3.
What are the key properties of 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 462.57 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 112803139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).