1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine

C15H19ClN4O2S — CID 91914700

IUPAC1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN4O2S/c1-2-15-18-17-11-20(15)13-7-9-19(10-8-13)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13H,2,7-10H2,1H3
InChIKeyAXBVYRJGRSTEOQ-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine

1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 91914700) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
PubChem CID91914700
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN4O2S/c1-2-15-18-17-11-20(15)13-7-9-19(10-8-13)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13H,2,7-10H2,1H3
InChIKeyAXBVYRJGRSTEOQ-UHFFFAOYSA-N
XLogP2.52
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 110875669
4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole
CID 71837181
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
CID 1333989
1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905089
4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine
CID 91905002
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole
CID 155882088
1-(4-butylphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 50958314
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium
CID 4756116
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine (CID 91914700) is 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is CCc1nncn1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is AXBVYRJGRSTEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-2-15-18-17-11-20(15)13-7-9-19(10-8-13)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine?
1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 354.86 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 91914700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).