1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine

C14H16ClFN4O4S2 — CID 71809113

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
SMILESCn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H16ClFN4O4S2/c1-19-9-17-18-14(19)25(21,22)10-4-6-20(7-5-10)26(23,24)11-2-3-13(16)12(15)8-11/h2-3,8-10H,4-7H2,1H3
InChIKeyZXJXSSBPYJUEAU-UHFFFAOYSA-N
MW422.89 g/mol
LogP1.23
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine

1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine (PubChem CID 71809113) has the molecular formula C14H16ClFN4O4S2 and a molecular weight of 422.89 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
PubChem CID71809113
Molecular FormulaC14H16ClFN4O4S2
Molecular Weight422.89 g/mol
Exact Mass422.03
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
SMILESCn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H16ClFN4O4S2/c1-19-9-17-18-14(19)25(21,22)10-4-6-20(7-5-10)26(23,24)11-2-3-13(16)12(15)8-11/h2-3,8-10H,4-7H2,1H3
InChIKeyZXJXSSBPYJUEAU-UHFFFAOYSA-N
XLogP1.23
TPSA102.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592472
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-(3-phenylphenyl)sulfonylpiperidine
CID 90592493
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592455
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine
CID 90592398
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine
CID 71809109
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine (CID 71809113) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine is Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The InChIKey is ZXJXSSBPYJUEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O4S2/c1-19-9-17-18-14(19)25(21,22)10-4-6-20(7-5-10)26(23,24)11-2-3-13(16)12(15)8-11/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine has a molecular weight of 422.89 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine is sourced from PubChem (CID 71809113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).