1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine

C15H16ClN3O2S — CID 138018051

IUPAC1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCn1cc(C2=CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C15H16ClN3O2S/c1-18-10-13(9-17-18)12-3-2-8-19(11-12)22(20,21)15-6-4-14(16)5-7-15/h3-7,9-10H,2,8,11H2,1H3
InChIKeyFCVZSEKGTHZQQG-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.55
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine

1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 138018051) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID138018051
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCn1cc(C2=CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C15H16ClN3O2S/c1-18-10-13(9-17-18)12-3-2-8-19(11-12)22(20,21)15-6-4-14(16)5-7-15/h3-7,9-10H,2,8,11H2,1H3
InChIKeyFCVZSEKGTHZQQG-UHFFFAOYSA-N
XLogP2.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 1510476
N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 6466638
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
1-(2-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6468378
1-(3-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6466144
4-chloro-N-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 6873665
4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 19577768
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121
2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204139
1-((4-chlorophenyl)methyl)-1H-pyrazole-4-sulfonyl chloride
CID 60912506
4-((1H-pyrazol-1-yl)methyl)-1-((3-chloro-2-methylphenyl)sulfonyl)piperidine
CID 71781203
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((3-chlorophenyl)sulfonyl)piperazine
CID 71783854

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine (CID 138018051) is 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine is Cn1cc(C2=CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is FCVZSEKGTHZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-18-10-13(9-17-18)12-3-2-8-19(11-12)22(20,21)15-6-4-14(16)5-7-15/h3-7,9-10H,2,8,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 337.83 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 138018051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).