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

C15H16ClN3O3S2 — CID 41118580

IUPAC(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H16ClN3O3S2/c16-12-3-5-13(6-4-12)24(21,22)19-8-1-2-11(10-19)14(20)18-15-17-7-9-23-15/h3-7,9,11H,1-2,8,10H2,(H,17,18,20)/t11-/m1/s1
InChIKeyHDLQLUCFAZYYLL-LLVKDONJSA-N
MW385.90 g/mol
LogP2.84
Rot. Bonds4

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

(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 41118580) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID41118580
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC Name(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H16ClN3O3S2/c16-12-3-5-13(6-4-12)24(21,22)19-8-1-2-11(10-19)14(20)18-15-17-7-9-23-15/h3-7,9,11H,1-2,8,10H2,(H,17,18,20)/t11-/m1/s1
InChIKeyHDLQLUCFAZYYLL-LLVKDONJSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
(3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51961625
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 122152547
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 71710462

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 41118580) is (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is HDLQLUCFAZYYLL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c16-12-3-5-13(6-4-12)24(21,22)19-8-1-2-11(10-19)14(20)18-15-17-7-9-23-15/h3-7,9,11H,1-2,8,10H2,(H,17,18,20)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 41118580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).