1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

C17H16ClNO2S — CID 3819741

IUPAC1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16ClNO2S/c18-16-8-4-5-9-17(16)22(20,21)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-10H,11-13H2
InChIKeyWTEPJOSFTONWAG-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 3819741) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID3819741
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16ClNO2S/c18-16-8-4-5-9-17(16)22(20,21)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-10H,11-13H2
InChIKeyWTEPJOSFTONWAG-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzoxazin-3-one
CID 55682183
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 8795280
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 35327619
4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine
CID 102691824
1-(4-chlorobutylsulfonyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 116814973
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 139619038
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
methyl 1,5-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrrole-2-carboxylate
CID 53027672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 3819741) is 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is O=S(=O)(c1ccccc1Cl)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is WTEPJOSFTONWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c18-16-8-4-5-9-17(16)22(20,21)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-10H,11-13H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 333.84 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3819741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).