1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C20H18ClFN4O3S2 — CID 27991642

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H18ClFN4O3S2/c21-16-12-15(6-7-17(16)22)31(28,29)26-10-8-13(9-11-26)18(27)23-20-25-24-19(30-20)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,25,27)
InChIKeyDRMZEFKKARBTSH-UHFFFAOYSA-N
MW480.97 g/mol
LogP4.04
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 27991642) has the molecular formula C20H18ClFN4O3S2 and a molecular weight of 480.97 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID27991642
Molecular FormulaC20H18ClFN4O3S2
Molecular Weight480.97 g/mol
Exact Mass480.05
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H18ClFN4O3S2/c21-16-12-15(6-7-17(16)22)31(28,29)26-10-8-13(9-11-26)18(27)23-20-25-24-19(30-20)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,25,27)
InChIKeyDRMZEFKKARBTSH-UHFFFAOYSA-N
XLogP4.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
1-(4-methylsulfanylphenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100710873
1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55807336
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CID 100506796
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 41163950
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
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CID 55794486
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 100753567
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 27991642) is 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is DRMZEFKKARBTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3S2/c21-16-12-15(6-7-17(16)22)31(28,29)26-10-8-13(9-11-26)18(27)23-20-25-24-19(30-20)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,25,27).
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 480.97 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 27991642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).