1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

C19H21NO3S — CID 8795280

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H21NO3S/c1-15-8-9-18(23-2)19(14-15)24(21,22)20-12-10-17(11-13-20)16-6-4-3-5-7-16/h3-10,14H,11-13H2,1-2H3
InChIKeyQAGYZWLPQMYTPL-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 8795280) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID8795280
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H21NO3S/c1-15-8-9-18(23-2)19(14-15)24(21,22)20-12-10-17(11-13-20)16-6-4-3-5-7-16/h3-10,14H,11-13H2,1-2H3
InChIKeyQAGYZWLPQMYTPL-UHFFFAOYSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
(E)-3-[3,4-dimethoxy-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]prop-2-enoic acid
CID 2445224
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
methyl 1,5-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrrole-2-carboxylate
CID 53027672
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867231
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3819741
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110726130
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine
CID 110399025
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 8795280) is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is COc1ccc(C)cc1S(=O)(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is QAGYZWLPQMYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-8-9-18(23-2)19(14-15)24(21,22)20-12-10-17(11-13-20)16-6-4-3-5-7-16/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 343.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 8795280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).