1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide

C15H18ClN3O3S2 — CID 4615334

IUPAC1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O3S2/c16-12-1-3-13(4-2-12)24(21,22)19-8-5-11(6-9-19)14(20)18-15-17-7-10-23-15/h1-4,11H,5-10H2,(H,17,18,20)
InChIKeySQDLBVUHJOXZCC-UHFFFAOYSA-N
MW387.91 g/mol
LogP1.96
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 4615334) has the molecular formula C15H18ClN3O3S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID4615334
Molecular FormulaC15H18ClN3O3S2
Molecular Weight387.91 g/mol
Exact Mass387.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O3S2/c16-12-1-3-13(4-2-12)24(21,22)19-8-5-11(6-9-19)14(20)18-15-17-7-10-23-15/h1-4,11H,5-10H2,(H,17,18,20)
InChIKeySQDLBVUHJOXZCC-UHFFFAOYSA-N
XLogP1.96
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 4615334) is 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is SQDLBVUHJOXZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2/c16-12-1-3-13(4-2-12)24(21,22)19-8-5-11(6-9-19)14(20)18-15-17-7-10-23-15/h1-4,11H,5-10H2,(H,17,18,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 4615334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).