1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

C16H18ClN3O3S2 — CID 20973380

IUPAC1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H18ClN3O3S2/c17-13-2-1-3-15(8-13)25(22,23)20-6-4-12(5-7-20)16(21)18-9-14-10-24-11-19-14/h1-3,8,10-12H,4-7,9H2,(H,18,21)
InChIKeyXLBOTKKZRUHFKR-UHFFFAOYSA-N
MW399.93 g/mol
LogP2.51
Rot. Bonds5

About 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 20973380) has the molecular formula C16H18ClN3O3S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
PubChem CID20973380
Molecular FormulaC16H18ClN3O3S2
Molecular Weight399.93 g/mol
Exact Mass399.05
IUPAC Name1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H18ClN3O3S2/c17-13-2-1-3-15(8-13)25(22,23)20-6-4-12(5-7-20)16(21)18-9-14-10-24-11-19-14/h1-3,8,10-12H,4-7,9H2,(H,18,21)
InChIKeyXLBOTKKZRUHFKR-UHFFFAOYSA-N
XLogP2.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
N-[(5-bromo-2-pyridinyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 146416069
1-(3,4-difluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35747322
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
1-naphthalen-2-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2985293
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-(3-acetylphenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 39730733
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136687

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (CID 20973380) is 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cscn1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XLBOTKKZRUHFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S2/c17-13-2-1-3-15(8-13)25(22,23)20-6-4-12(5-7-20)16(21)18-9-14-10-24-11-19-14/h1-3,8,10-12H,4-7,9H2,(H,18,21).
What are the key properties of 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 399.93 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20973380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).