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

C14H17ClN4O2S — CID 84597634

IUPAC1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC(Cn2cncn2)C1
InChIInChI=1S/C14H17ClN4O2S/c15-13-4-1-5-14(7-13)22(20,21)19-6-2-3-12(9-19)8-18-11-16-10-17-18/h1,4-5,7,10-12H,2-3,6,8-9H2
InChIKeyYBGSRLRKNPVZMN-UHFFFAOYSA-N
MW340.84 g/mol
LogP2.03
Rot. Bonds4

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

1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 84597634) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID84597634
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC(Cn2cncn2)C1
InChIInChI=1S/C14H17ClN4O2S/c15-13-4-1-5-14(7-13)22(20,21)19-6-2-3-12(9-19)8-18-11-16-10-17-18/h1,4-5,7,10-12H,2-3,6,8-9H2
InChIKeyYBGSRLRKNPVZMN-UHFFFAOYSA-N
XLogP2.03
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine (CID 84597634) is 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine is O=S(=O)(c1cccc(Cl)c1)N1CCCC(Cn2cncn2)C1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is YBGSRLRKNPVZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c15-13-4-1-5-14(7-13)22(20,21)19-6-2-3-12(9-19)8-18-11-16-10-17-18/h1,4-5,7,10-12H,2-3,6,8-9H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 340.84 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 84597634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).