1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide

C18H23ClN4O4S — CID 56547403

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C18H23ClN4O4S/c1-12-20-17(22-27-12)18(2,3)21-16(24)13-5-4-10-23(11-13)28(25,26)15-8-6-14(19)7-9-15/h6-9,13H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyNTXQGPXXHWZEHM-UHFFFAOYSA-N
MW426.93 g/mol
LogP2.48
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide (PubChem CID 56547403) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide
PubChem CID56547403
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C18H23ClN4O4S/c1-12-20-17(22-27-12)18(2,3)21-16(24)13-5-4-10-23(11-13)28(25,26)15-8-6-14(19)7-9-15/h6-9,13H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyNTXQGPXXHWZEHM-UHFFFAOYSA-N
XLogP2.48
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
ethyl N-[2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558612
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5007860
(3R)-N-(4-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895856
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide (CID 56547403) is 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide is Cc1nc(C(C)(C)NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is NTXQGPXXHWZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c1-12-20-17(22-27-12)18(2,3)21-16(24)13-5-4-10-23(11-13)28(25,26)15-8-6-14(19)7-9-15/h6-9,13H,4-5,10-11H2,1-3H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56547403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).