1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C17H19Cl2N3O3S2 — CID 99141993

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc1C
InChIInChI=1S/C17H19Cl2N3O3S2/c1-10-11(2)26-17(20-10)21-16(23)12-5-7-22(8-6-12)27(24,25)15-9-13(18)3-4-14(15)19/h3-4,9,12H,5-8H2,1-2H3,(H,20,21,23)
InChIKeyQUPSTLCDLVFGLM-UHFFFAOYSA-N
MW448.40 g/mol
LogP4.11
Rot. Bonds4

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

1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 99141993) has the molecular formula C17H19Cl2N3O3S2 and a molecular weight of 448.40 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID99141993
Molecular FormulaC17H19Cl2N3O3S2
Molecular Weight448.40 g/mol
Exact Mass447.02
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc1C
InChIInChI=1S/C17H19Cl2N3O3S2/c1-10-11(2)26-17(20-10)21-16(23)12-5-7-22(8-6-12)27(24,25)15-9-13(18)3-4-14(15)19/h3-4,9,12H,5-8H2,1-2H3,(H,20,21,23)
InChIKeyQUPSTLCDLVFGLM-UHFFFAOYSA-N
XLogP4.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 24506364
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
1-(2,5-dichlorophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358144
N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
1-(2,5-dichlorophenyl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 55515782
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 26515800
1-(2-chloro-5-nitrophenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 3882451
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
1-(2,5-dichlorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 46651843
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 99141993) is 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc1C.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QUPSTLCDLVFGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S2/c1-10-11(2)26-17(20-10)21-16(23)12-5-7-22(8-6-12)27(24,25)15-9-13(18)3-4-14(15)19/h3-4,9,12H,5-8H2,1-2H3,(H,20,21,23).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 448.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 99141993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).